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2024-05-07 00:00:00
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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2024-05-07 00:00:00
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agm005266753-pbe-14
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-16
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-17
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-18
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-19
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-2
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-20
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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agm005266753-pbe-26
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
| true | 143 |
agm005266753-pbe-27
| 27 | 0 |
[
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A14B5C3D
|
Ga5Nd3O14Si
|
Nd3 Ga5 Si O14
| 4 |
[
1,
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1
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-28
| 28 | 0 |
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A14B5C3D
|
Ga5Nd3O14Si
|
Nd3 Ga5 Si O14
| 4 |
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agm005266753
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2024-05-07 00:00:00
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pbe
| true | 143 |
agm005266753-pbe-29
| 29 | 0 |
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A14B5C3D
|
Ga5Nd3O14Si
|
Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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[
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pbe
| true | 143 |
agm005266753-pbe-3
| 3 | 0 |
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A14B5C3D
|
Ga5Nd3O14Si
|
Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-30
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-33
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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agm005266753-pbe-37
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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agm005266753-pbe-39
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-4
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-43
| 43 | 0 |
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
| 4 |
[
1,
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-47
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-49
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-5
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-52
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-53
| 53 | 0 |
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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1,
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-55
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-56
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-6
| 6 | 0 |
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
| 4 |
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-61
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
| 4 |
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-62
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-66
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-69
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-7
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-76
| 76 | 0 |
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
| 4 |
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-78
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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agm005266753-pbe-85
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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pbe
| true | 143 |
agm005266753-pbe-88
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
| 4 |
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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Ga5Nd3O14Si
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-92
| 92 | 0 |
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A14B5C3D
|
Ga5Nd3O14Si
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Nd3 Ga5 Si O14
| 4 |
[
1,
1,
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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[
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
|
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agm005266753-pbe-96
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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[
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pbe
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agm005266753-pbe-97
| 97 | 0 |
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A14B5C3D
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Ga5Nd3O14Si
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Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-98
| 98 | 0 |
[
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A14B5C3D
|
Ga5Nd3O14Si
|
Nd3 Ga5 Si O14
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agm005266753
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2024-05-07 00:00:00
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pbe
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agm005266753-pbe-99
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[
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A4B3CD
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Cu3KSe4Ti
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K Ti Cu3 Se4
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3.0399785,
0,
0
],
[
1.366719613987,
1.366719613987,
1.366719613987
],
[
4.713237386013001,
4.713237386013001,
1.366719613987
],
[
1.366719613987,
4.713237386013001,
4.713237386013001
],
[
4.713237386013001,
1.366719613987,
4.713237386013001
]
] |
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"K",
"Ti",
"Cu",
"Cu",
"Cu",
"Se",
"Se",
"Se",
"Se"
] |
2024-05-07 00:00:00
|
[
0.3333333333333333,
0.1111111111111111,
0.4444444444444444,
0.1111111111111111
] |
[
[
4.9510514,
0,
0
],
[
0,
4.9510514,
0
],
[
0,
0,
4.9510514
]
] | -41.132373 | -43.020373 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00248155,
-0.00248155,
-0.00248155
],
[
0.00248155,
0.00248155,
-0.00248155
],
[
-0.00248155,
0.00248155,
0.00248155
],
[
0.00248155,
-0.00248155,
0.00248155
]
] |
pbe
| true | 215 |
agm005266788-pbe-0
| 0 | 0 |
[
"Cu",
"K",
"Se",
"Ti"
] | 9 |
A4B3CD
|
Cu3KSe4Ti
|
K Ti Cu3 Se4
| 4 |
[
1,
1,
1
] | 3 |
[
[
6.10259185,
0,
0
],
[
0,
6.10259185,
0
],
[
0,
0,
6.10259185
]
] |
agm005266788
|
[
[
3.051295925,
3.051295925,
3.051295925
],
[
0,
0,
0
],
[
0,
3.051295925,
0
],
[
0,
0,
3.051295925
],
[
3.051295925,
0,
0
],
[
1.3716875645198234,
1.3716875645198234,
1.3716875645198234
],
[
4.730904285480176,
4.730904285480176,
1.3716875645198234
],
[
1.3716875645198234,
4.730904285480176,
4.730904285480176
],
[
4.730904285480176,
1.3716875645198234,
4.730904285480176
]
] |
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"K",
"Ti",
"Cu",
"Cu",
"Cu",
"Se",
"Se",
"Se",
"Se"
] |
2024-05-07 00:00:00
|
[
0.3333333333333333,
0.1111111111111111,
0.4444444444444444,
0.1111111111111111
] |
[
[
-0.68248279,
0,
0
],
[
0,
-0.68248279,
0
],
[
0,
0,
-0.68248279
]
] | -41.135707 | -43.023707 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.05730431,
-0.05730431,
-0.05730431
],
[
0.05730431,
0.05730431,
-0.05730431
],
[
-0.05730431,
0.05730431,
0.05730431
],
[
0.05730431,
-0.05730431,
0.05730431
]
] |
pbe
| true | 215 |
agm005266788-pbe-1
| 1 | 0 |
[
"Cu",
"K",
"Se",
"Ti"
] | 9 |
A4B3CD
|
Cu3KSe4Ti
|
K Ti Cu3 Se4
| 4 |
[
1,
1,
1
] | 3 |
[
[
6.09993679,
0,
0
],
[
0,
6.09993679,
0
],
[
0,
0,
6.09993679
]
] |
agm005266788
|
[
[
3.049968395,
3.049968395,
3.049968395
],
[
0,
0,
0
],
[
0,
3.049968395,
0
],
[
0,
0,
3.049968395
],
[
3.049968395,
0,
0
],
[
1.371104813060112,
1.371104813060112,
1.371104813060112
],
[
4.7288319769398885,
4.7288319769398885,
1.371104813060112
],
[
1.371104813060112,
4.7288319769398885,
4.7288319769398885
],
[
4.7288319769398885,
1.371104813060112,
4.7288319769398885
]
] |
[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
|
[
"K",
"Ti",
"Cu",
"Cu",
"Cu",
"Se",
"Se",
"Se",
"Se"
] |
2024-05-07 00:00:00
|
[
0.3333333333333333,
0.1111111111111111,
0.4444444444444444,
0.1111111111111111
] |
[
[
-0.05610494,
0,
0
],
[
0,
-0.05610494,
0
],
[
0,
0,
-0.05610494
]
] | -41.135767 | -43.023767 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.05092412,
-0.05092412,
-0.05092412
],
[
0.05092412,
0.05092412,
-0.05092412
],
[
-0.05092412,
0.05092412,
0.05092412
],
[
0.05092412,
-0.05092412,
0.05092412
]
] |
pbe
| true | 215 |
agm005266788-pbe-2
| 2 | 0 |
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