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2024-05-07 00:00:00
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A2B2CD
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BCo2DyFe2
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Dy2 Fe4 Co4 B2
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agm005266490
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2024-05-07 00:00:00
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pbe
| true | 1 |
agm005266490-pbe-0
| 0 | 0 |
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A2B2CD
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BCo2DyFe2
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Dy2 Fe4 Co4 B2
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agm005266490
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2024-05-07 00:00:00
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pbe
| true | 1 |
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| 1 | 0 |
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BCo2DyFe2
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Dy2 Fe4 Co4 B2
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agm005266490
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2024-05-07 00:00:00
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pbe
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| 10 | 0 |
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BCo2DyFe2
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Dy2 Fe4 Co4 B2
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agm005266490
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2024-05-07 00:00:00
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pbe
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agm005266490-pbe-11
| 11 | 0 |
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] | 12 |
A2B2CD
|
BCo2DyFe2
|
Dy2 Fe4 Co4 B2
| 4 |
[
1,
1,
1
] | 3 |
[
[
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agm005266490
|
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|
[
"Dy",
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2024-05-07 00:00:00
|
[
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pbe
| true | 1 |
agm005266490-pbe-12
| 12 | 0 |
[
"B",
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"Fe"
] | 12 |
A2B2CD
|
BCo2DyFe2
|
Dy2 Fe4 Co4 B2
| 4 |
[
1,
1,
1
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[
[
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agm005266490
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|
[
"Dy",
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2024-05-07 00:00:00
|
[
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pbe
| true | 1 |
agm005266490-pbe-13
| 13 | 0 |
[
"B",
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"Fe"
] | 12 |
A2B2CD
|
BCo2DyFe2
|
Dy2 Fe4 Co4 B2
| 4 |
[
1,
1,
1
] | 3 |
[
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agm005266490
|
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|
[
"Dy",
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2024-05-07 00:00:00
|
[
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pbe
| true | 8 |
agm005266490-pbe-14
| 14 | 0 |
[
"B",
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"Fe"
] | 12 |
A2B2CD
|
BCo2DyFe2
|
Dy2 Fe4 Co4 B2
| 4 |
[
1,
1,
1
] | 3 |
[
[
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agm005266490
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|
[
"Dy",
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2024-05-07 00:00:00
|
[
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pbe
| true | 8 |
agm005266490-pbe-15
| 15 | 1 |
[
"B",
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"Fe"
] | 12 |
A2B2CD
|
BCo2DyFe2
|
Dy2 Fe4 Co4 B2
| 4 |
[
1,
1,
1
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[
[
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agm005266490
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|
[
"Dy",
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2024-05-07 00:00:00
|
[
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pbe
| true | 8 |
agm005266490-pbe-16
| 16 | 1 |
[
"B",
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] | 12 |
A2B2CD
|
BCo2DyFe2
|
Dy2 Fe4 Co4 B2
| 4 |
[
1,
1,
1
] | 3 |
[
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agm005266490
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2024-05-07 00:00:00
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pbe
| true | 1 |
agm005266490-pbe-2
| 2 | 0 |
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A2B2CD
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BCo2DyFe2
|
Dy2 Fe4 Co4 B2
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agm005266490
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2024-05-07 00:00:00
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pbe
| true | 1 |
agm005266490-pbe-3
| 3 | 0 |
[
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A2B2CD
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BCo2DyFe2
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Dy2 Fe4 Co4 B2
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agm005266490
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|
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2024-05-07 00:00:00
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pbe
| true | 1 |
agm005266490-pbe-4
| 4 | 0 |
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A2B2CD
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BCo2DyFe2
|
Dy2 Fe4 Co4 B2
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agm005266490
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2024-05-07 00:00:00
|
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pbe
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agm005266490-pbe-5
| 5 | 0 |
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A2B2CD
|
BCo2DyFe2
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Dy2 Fe4 Co4 B2
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agm005266490
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2024-05-07 00:00:00
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pbe
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agm005266490-pbe-6
| 6 | 0 |
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A2B2CD
|
BCo2DyFe2
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Dy2 Fe4 Co4 B2
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agm005266490
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2024-05-07 00:00:00
|
[
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pbe
| true | 1 |
agm005266490-pbe-7
| 7 | 0 |
[
"B",
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"Fe"
] | 12 |
A2B2CD
|
BCo2DyFe2
|
Dy2 Fe4 Co4 B2
| 4 |
[
1,
1,
1
] | 3 |
[
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agm005266490
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|
[
"Dy",
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"Fe",
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"Co",
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2024-05-07 00:00:00
|
[
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pbe
| true | 1 |
agm005266490-pbe-8
| 8 | 0 |
[
"B",
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A2B2CD
|
BCo2DyFe2
|
Dy2 Fe4 Co4 B2
| 4 |
[
1,
1,
1
] | 3 |
[
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agm005266490
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|
[
"Dy",
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2024-05-07 00:00:00
|
[
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pbe
| true | 1 |
agm005266490-pbe-9
| 9 | 0 |
[
"Hf",
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A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-0
| 0 | 0 |
[
"Hf",
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A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
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pbe
| true | 38 |
agm005266578-pbe-1
| 1 | 0 |
[
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A14BC
|
HfKMg14
|
K Hf Mg14
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[
1,
1,
1
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agm005266578
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|
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2024-05-07 00:00:00
|
[
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0,
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[
0,
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]
] |
pbe
| true | 38 |
agm005266578-pbe-10
| 10 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.56374816,
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0
],
[
4.56374816,
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0
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[
0,
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agm005266578
|
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[
4.56374816,
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"K",
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"Mg",
"Mg",
"Mg",
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg"
] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
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[
[
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0
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0,
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[
0,
0,
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[
0,
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pbe
| true | 38 |
agm005266578-pbe-100
| 100 | 1 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
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4.55686876,
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0
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4.55686876,
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0,
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agm005266578
|
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[
4.55686876,
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"K",
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"Mg",
"Mg",
"Mg",
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"Mg",
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"Mg",
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] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
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[
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0,
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[
0,
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0,
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[
0,
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] |
pbe
| true | 38 |
agm005266578-pbe-101
| 101 | 1 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.54994293,
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4.54994293,
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agm005266578
|
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
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"Mg",
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] |
2024-05-07 00:00:00
|
[
0.0625,
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0.875
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[
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0,
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0,
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[
0,
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pbe
| true | 38 |
agm005266578-pbe-102
| 102 | 1 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.550534,
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0
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[
4.550534,
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agm005266578
|
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[
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|
[
"K",
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] |
2024-05-07 00:00:00
|
[
0.0625,
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0.875
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[
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0,
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] | -31.463413 | -31.463413 |
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0,
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[
0,
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] |
pbe
| true | 38 |
agm005266578-pbe-103
| 103 | 1 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.55214947,
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0
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[
4.55214947,
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0,
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agm005266578
|
[
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|
[
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] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
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[
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0,
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] | -31.463846 | -31.463846 |
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0,
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0,
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] |
pbe
| true | 38 |
agm005266578-pbe-104
| 104 | 1 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
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pbe
| true | 38 |
agm005266578-pbe-105
| 105 | 1 |
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A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-106
| 106 | 1 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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agm005266578
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|
[
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] |
2024-05-07 00:00:00
|
[
0.0625,
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0.875
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0,
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pbe
| true | 38 |
agm005266578-pbe-107
| 107 | 1 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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4.5527662,
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4.5527662,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-108
| 108 | 2 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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4.58687794,
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4.58687794,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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0.875
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pbe
| true | 38 |
agm005266578-pbe-109
| 109 | 2 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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3.44812754,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-11
| 11 | 0 |
[
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A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
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| 110 | 2 |
[
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
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[
1,
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1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-111
| 111 | 2 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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[
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pbe
| true | 38 |
agm005266578-pbe-112
| 112 | 2 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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[
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pbe
| true | 38 |
agm005266578-pbe-113
| 113 | 2 |
[
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
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1,
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1
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[
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agm005266578
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[
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|
[
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"Mg"
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2024-05-07 00:00:00
|
[
0.0625,
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0.875
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pbe
| true | 38 |
agm005266578-pbe-114
| 114 | 2 |
[
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A14BC
|
HfKMg14
|
K Hf Mg14
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[
1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-115
| 115 | 2 |
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A14BC
|
HfKMg14
|
K Hf Mg14
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1,
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1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-116
| 116 | 2 |
[
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A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-117
| 117 | 2 |
[
"Hf",
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A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
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1,
1,
1
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[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-118
| 118 | 2 |
[
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A14BC
|
HfKMg14
|
K Hf Mg14
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1,
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1
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agm005266578
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
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"Mg",
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"Mg",
"Mg",
"Mg",
"Mg",
"Mg"
] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
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[
0,
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0,
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pbe
| true | 38 |
agm005266578-pbe-119
| 119 | 2 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
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0
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3.45874223,
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agm005266578
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|
[
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] |
2024-05-07 00:00:00
|
[
0.0625,
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0.875
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0,
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pbe
| true | 38 |
agm005266578-pbe-12
| 12 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
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4.76608601,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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0.875
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[
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0,
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pbe
| true | 38 |
agm005266578-pbe-120
| 120 | 2 |
[
"Hf",
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"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
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4.77013058,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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0.875
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[
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0,
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0,
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pbe
| true | 38 |
agm005266578-pbe-121
| 121 | 2 |
[
"Hf",
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"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.77126247,
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4.77126247,
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agm005266578
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|
[
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] |
2024-05-07 00:00:00
|
[
0.0625,
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0.875
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[
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0,
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] |
pbe
| true | 38 |
agm005266578-pbe-122
| 122 | 2 |
[
"Hf",
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"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
4.77171389,
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4.77171389,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-123
| 123 | 2 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
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0
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3.49058629,
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agm005266578
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|
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-13
| 13 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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0,
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pbe
| true | 38 |
agm005266578-pbe-14
| 14 | 0 |
[
"Hf",
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A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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3.56622507,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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[
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0,
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pbe
| true | 38 |
agm005266578-pbe-15
| 15 | 0 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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3.60207705,
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3.60207705,
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agm005266578
|
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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[
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pbe
| true | 38 |
agm005266578-pbe-16
| 16 | 0 |
[
"Hf",
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"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
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3.67378101,
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3.67378101,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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[
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[
0,
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pbe
| true | 38 |
agm005266578-pbe-17
| 17 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.81718893,
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0
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[
3.81718893,
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[
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agm005266578
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[
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|
[
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"Mg",
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"Mg",
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"Mg",
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2024-05-07 00:00:00
|
[
0.0625,
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0.875
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0,
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pbe
| true | 38 |
agm005266578-pbe-18
| 18 | 0 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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0
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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0.875
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[
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0,
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pbe
| true | 38 |
agm005266578-pbe-19
| 19 | 0 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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3.34170935,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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[
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pbe
| true | 38 |
agm005266578-pbe-2
| 2 | 0 |
[
"Hf",
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"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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3.91908807,
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agm005266578
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|
[
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2024-05-07 00:00:00
|
[
0.0625,
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pbe
| true | 38 |
agm005266578-pbe-20
| 20 | 0 |
[
"Hf",
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] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
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[
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3.90567004,
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3.90567004,
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agm005266578
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|
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2024-05-07 00:00:00
|
[
0.0625,
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0.00837671,
-0.06615719
],
[
0,
-0.07168621,
0.09562699
],
[
0,
-0.07168621,
-0.09562699
],
[
0,
-0.01757402,
0.06226782
],
[
0,
-0.01757402,
-0.06226782
]
] |
pbe
| true | 38 |
agm005266578-pbe-21
| 21 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.89829164,
-4.95297489,
0
],
[
3.89829164,
4.95297489,
0
],
[
0,
0,
9.8759345
]
] |
agm005266578
|
[
[
3.89829164,
-3.617840379285336,
4.93796725
],
[
3.89829164,
1.1035327114417797,
4.93796725
],
[
3.89829164,
-3.3355082299991152,
0
],
[
3.89829164,
1.2023067197691206,
0
],
[
1.82985029923272,
-1.2942264052056878,
4.93796725
],
[
1.7104644940310578,
-1.1030213663141366,
0
],
[
5.96673298076728,
-1.2942264052056869,
4.93796725
],
[
6.086118785968942,
-1.1030213663141368,
0
],
[
1.9583690610714908,
1.1821494492700406,
2.368712570706085
],
[
1.9583690610714908,
1.1821494492700406,
7.507221929293914
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[
5.83821421892851,
1.182149449270041,
2.368712570706085
],
[
5.83821421892851,
1.182149449270041,
7.507221929293914
],
[
3.89829164,
-1.1112359742286992,
2.413347646753595
],
[
3.89829164,
-1.1112359742286992,
7.462586853246405
],
[
3.89829164,
3.4678996638568496,
2.524425639892825
],
[
3.89829164,
3.4678996638568496,
7.351508860107175
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"K",
"Hf",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg"
] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
] |
[
[
0.85163812,
0,
0
],
[
0,
0.7195677,
0
],
[
0,
0,
0.10194449
]
] | -30.866689 | -30.866689 |
[
[
0,
-0.09532453,
0
],
[
0,
0.15748135,
0
],
[
0,
-0.05844603,
0
],
[
0,
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0
],
[
0.16391594,
0.06366773,
0
],
[
0.06940514,
-0.00662809,
0
],
[
-0.16391594,
0.06366773,
0
],
[
-0.06940514,
-0.00662809,
0
],
[
-0.01856944,
0.00126363,
0.04441631
],
[
-0.01856944,
0.00126363,
-0.04441631
],
[
0.01856944,
0.00126363,
0.04441631
],
[
0.01856944,
0.00126363,
-0.04441631
],
[
0,
-0.04324027,
0.07828447
],
[
0,
-0.04324027,
-0.07828447
],
[
0,
-0.00513216,
0.0603313
],
[
0,
-0.00513216,
-0.0603313
]
] |
pbe
| true | 38 |
agm005266578-pbe-22
| 22 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.87615644,
-4.94436049,
0
],
[
3.87615644,
4.94436049,
0
],
[
0,
0,
9.8282416
]
] |
agm005266578
|
[
[
3.87615644,
-3.6270782327960314,
4.9141208
],
[
3.87615644,
1.1616075838681716,
4.9141208
],
[
3.87615644,
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0
],
[
3.8761564400000004,
1.1937749010056429,
0
],
[
1.8747691119117373,
-1.27112091657165,
4.9141208
],
[
1.7266925712065015,
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0
],
[
5.8775437680882625,
-1.2711209165716504,
4.9141208
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[
6.025620308793498,
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0
],
[
1.942047210386738,
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2.37515232591768
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[
1.942047210386738,
1.178543254636544,
7.453089274082321
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[
5.810265669613262,
1.1785432546365442,
2.37515232591768
],
[
5.810265669613262,
1.1785432546365442,
7.453089274082321
],
[
3.87615644,
-1.1330835682013614,
2.42653339017832
],
[
3.87615644,
-1.1330835682013614,
7.40170820982168
],
[
3.87615644,
3.454693598748231,
2.529209226738352
],
[
3.87615644,
3.454693598748231,
7.299032373261648
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"K",
"Hf",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg"
] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
] |
[
[
6.36625415,
0,
0
],
[
0,
4.94844226,
0
],
[
0,
0,
5.0814361
]
] | -30.889963 | -30.889963 |
[
[
0,
-0.17944292,
0
],
[
0,
-0.00819482,
0
],
[
0,
-0.08578714,
0
],
[
0,
0.01697822,
0
],
[
0.07892673,
0.11036567,
0
],
[
0.00192941,
-0.01285346,
0
],
[
-0.07892673,
0.11036567,
0
],
[
-0.00192941,
-0.01285346,
0
],
[
0.00437524,
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-0.02110892
],
[
0.00437524,
-0.02351827,
0.02110892
],
[
-0.00437524,
-0.02351827,
-0.02110892
],
[
-0.00437524,
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0.02110892
],
[
0,
0.0406807,
0.01706394
],
[
0,
0.0406807,
-0.01706394
],
[
0,
0.03706696,
0.04042901
],
[
0,
0.03706696,
-0.04042901
]
] |
pbe
| true | 38 |
agm005266578-pbe-23
| 23 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.88248667,
-4.95314025,
0
],
[
3.88248667,
4.95314025,
0
],
[
0,
0,
9.8404974
]
] |
agm005266578
|
[
[
3.88248667,
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4.9202487
],
[
3.88248667,
1.1748616866036303,
4.9202487
],
[
3.88248667,
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0
],
[
3.8824866700000005,
1.195160150662155,
0
],
[
1.8906968916194697,
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4.9202487
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[
1.7345290678508574,
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0
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[
5.87427644838053,
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4.9202487
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[
6.0304442721491425,
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0
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1.9443509549804014,
1.1796585057473399,
2.380916808757764
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[
1.9443509549804014,
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[
5.820622385019599,
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2.380916808757764
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[
5.820622385019599,
1.1796585057473399,
7.459580591242236
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[
3.8824866699999996,
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2.43479835386649
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[
3.8824866699999996,
-1.1384458032344098,
7.40569904613351
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[
3.88248667,
3.4605365976149693,
2.53677739652217
],
[
3.88248667,
3.4605365976149693,
7.30372000347783
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"K",
"Hf",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg"
] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
] |
[
[
3.95714478,
0,
0
],
[
0,
2.99616164,
0
],
[
0,
0,
3.3434457
]
] | -30.899623 | -30.899623 |
[
[
0,
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0
],
[
0,
-0.02092321,
0
],
[
0,
-0.08098932,
0
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[
0,
0.02473678,
0
],
[
0.05801876,
0.09154001,
0
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[
-0.00867643,
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0
],
[
-0.05801876,
0.09154001,
0
],
[
0.00867643,
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0
],
[
0.01657847,
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],
[
0.01657847,
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0.02838893
],
[
-0.01657847,
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],
[
-0.01657847,
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0.02838893
],
[
0,
0.05734384,
0.00215524
],
[
0,
0.05734384,
-0.00215524
],
[
0,
0.03353203,
0.03435195
],
[
0,
0.03353203,
-0.03435195
]
] |
pbe
| true | 38 |
agm005266578-pbe-24
| 24 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.89237197,
-4.96685076,
0
],
[
3.89237197,
4.96685076,
0
],
[
0,
0,
9.85963612
]
] |
agm005266578
|
[
[
3.89237197,
-3.6645242127172026,
4.92981806
],
[
3.8923719699999997,
1.1956076991462696,
4.92981806
],
[
3.89237197,
-3.372584943497273,
0
],
[
3.89237197,
1.1973202692883178,
0
],
[
1.9156207837920975,
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4.92981806
],
[
1.7467864638566883,
-1.1050725395150804,
0
],
[
5.869123156207903,
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4.92981806
],
[
6.037957476143312,
-1.1050725395150809,
0
],
[
1.9479449868169625,
1.1813958007241436,
2.389927384674651
],
[
1.9479449868169625,
1.1813958007241436,
7.469708735325348
],
[
5.836798953183037,
1.1813958007241436,
2.389927384674651
],
[
5.836798953183037,
1.1813958007241436,
7.469708735325348
],
[
3.8923719699999997,
-1.146834019379191,
2.447720824948365
],
[
3.8923719699999997,
-1.146834019379191,
7.411915295051634
],
[
3.89237197,
3.4696597568501235,
2.5486091571608203
],
[
3.89237197,
3.4696597568501235,
7.311026962839179
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"K",
"Hf",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg"
] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
] |
[
[
0.27804803,
0,
0
],
[
0,
-0.00415896,
0
],
[
0,
0,
0.70637372
]
] | -30.906563 | -30.906563 |
[
[
0,
-0.15118031,
0
],
[
0,
-0.04003922,
0
],
[
0,
-0.07019091,
0
],
[
0,
0.03834372,
0
],
[
0.01598787,
0.05251745,
0
],
[
-0.0235364,
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0
],
[
-0.01598787,
0.05251745,
0
],
[
0.0235364,
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0
],
[
0.03494824,
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],
[
0.03494824,
-0.01750237,
0.03860076
],
[
-0.03494824,
-0.01750237,
-0.03860076
],
[
-0.03494824,
-0.01750237,
0.03860076
],
[
0,
0.08538828,
-0.02512126
],
[
0,
0.08538828,
0.02512126
],
[
0,
0.02961014,
0.02242281
],
[
0,
0.02961014,
-0.02242281
]
] |
pbe
| true | 38 |
agm005266578-pbe-25
| 25 | 0 |
[
"Hf",
"K",
"Mg"
] | 16 |
A14BC
|
HfKMg14
|
K Hf Mg14
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.89426379,
-4.96947464,
0
],
[
3.89426379,
4.96947464,
0
],
[
0,
0,
9.86329883
]
] |
agm005266578
|
[
[
3.89426379,
-3.668896833920302,
4.931649415
],
[
3.8942637900000006,
1.1995797937282224,
4.931649415
],
[
3.89426379,
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0
],
[
3.89426379,
1.1977336338994626,
0
],
[
1.9203925168255336,
-1.2570175282595528,
4.931649415
],
[
1.7491329983124633,
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0
],
[
5.868135063174466,
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4.931649415
],
[
6.039394581687537,
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0
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[
1.9486326663793903,
1.181728148757936,
2.391652009867482
],
[
1.9486326663793903,
1.181728148757936,
7.471646820132518
],
[
5.8398949136206095,
1.1817281487579363,
2.391652009867482
],
[
5.8398949136206095,
1.1817281487579363,
7.471646820132518
],
[
3.89426379,
-1.1484398247134175,
2.450194436477087
],
[
3.89426379,
-1.1484398247134175,
7.413104393522913
],
[
3.89426379,
3.4714056379785116,
2.550873960651324
],
[
3.89426379,
3.4714056379785116,
7.312424869348676
]
] |
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"K",
"Hf",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg"
] |
2024-05-07 00:00:00
|
[
0.0625,
0.0625,
0.875
] |
[
[
-0.41646959,
0,
0
],
[
0,
-0.56831672,
0
],
[
0,
0,
0.21109193
]
] | -30.906759 | -30.906759 |
[
[
0,
-0.14734461,
0
],
[
0,
-0.04309342,
0
],
[
0,
-0.06870506,
0
],
[
0,
0.04058059,
0
],
[
0.01024869,
0.04663653,
0
],
[
-0.02607123,
-0.02259719,
0
],
[
-0.01024869,
0.04663653,
0
],
[
0.02607123,
-0.02259719,
0
],
[
0.03829735,
-0.01683177,
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],
[
0.03829735,
-0.01683177,
0.04054628
],
[
-0.03829735,
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-0.04054628
],
[
-0.03829735,
-0.01683177,
0.04054628
],
[
0,
0.09026952,
-0.03091921
],
[
0,
0.09026952,
0.03091921
],
[
0,
0.02863593,
0.01981997
],
[
0,
0.02863593,
-0.01981997
]
] |
pbe
| true | 38 |
agm005266578-pbe-26
| 26 | 0 |
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