material_id
stringlengths 6
10
| formula_pretty
stringlengths 3
24
| n_elements
int64 2
8
| contains_transition_metal
bool 2
classes | formation_energy_per_atom
float64 -2.33
7.95
| energy_per_atom
float64 -16.62
2.06
| band_gap
float64 -0.87
5.03
| is_semiconductor
bool 2
classes | density
float64 -2.48
10.3
| volume
float64 -1.19
19.9
| elements
stringlengths 11
46
|
|---|---|---|---|---|---|---|---|---|---|---|
mp-770973
|
Li24MnCr11O36
| 4 | true | -0.274929 | 0.098983 | -0.185564 | false | -0.121147 | 0.601625 |
['Cr', 'Li', 'Mn', 'O']
|
mp-770619
|
Li24Mn11CrO36
| 4 | true | -0.229725 | 0.130692 | -0.02191 | false | -0.014416 | 0.560747 |
['Cr', 'Li', 'Mn', 'O']
|
mp-770667
|
Li24MnCr11O36
| 4 | true | -0.279876 | 0.097678 | -0.245081 | false | -0.124028 | 0.603848 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777351
|
Li24TiCr11O36
| 4 | false | -0.352723 | 0.08357 | -0.252732 | false | -0.132356 | 0.600758 |
['Cr', 'Li', 'O', 'Ti']
|
mp-779775
|
Li24Ti11CrO36
| 4 | false | -1.038557 | -0.026477 | 0.035102 | true | -0.26381 | 0.649423 |
['Cr', 'Li', 'O', 'Ti']
|
mp-779092
|
Li24Ti11CrO36
| 4 | false | -1.039001 | -0.026594 | 0.129489 | true | -0.27052 | 0.655081 |
['Cr', 'Li', 'O', 'Ti']
|
mp-780842
|
Li24TiCr11O36
| 4 | false | -0.352045 | 0.083749 | -0.282524 | false | -0.133876 | 0.601935 |
['Cr', 'Li', 'O', 'Ti']
|
mp-778889
|
Li24Ti11CrO36
| 4 | false | -1.038998 | -0.026594 | 0.144656 | true | -0.276853 | 0.660452 |
['Cr', 'Li', 'O', 'Ti']
|
mp-779227
|
Li24Ti11CrO36
| 4 | false | -1.038864 | -0.026558 | 0.113848 | true | -0.267068 | 0.652166 |
['Cr', 'Li', 'O', 'Ti']
|
mp-1218941
|
Sr10Li24NiN15
| 4 | true | 1.551576 | 0.82454 | -0.868213 | false | -0.615449 | 0.983807 |
['Li', 'N', 'Ni', 'Sr']
|
mp-686239
|
Sr5Li25La7Nb8O48
| 5 | false | -0.985899 | 0.002564 | 1.306553 | true | 0.433086 | 2.136735 |
['La', 'Li', 'Nb', 'O', 'Sr']
|
mp-686736
|
Sr5Li25La7(BiO6)8
| 5 | false | -0.441322 | 0.301211 | 0.435536 | true | 1.219407 | 2.223968 |
['Bi', 'La', 'Li', 'O', 'Sr']
|
mp-695291
|
Li25Ca5La7Nb8O48
| 5 | false | -0.988515 | -0.003011 | 1.424707 | true | 0.365906 | 1.950348 |
['Ca', 'La', 'Li', 'Nb', 'O']
|
mp-685675
|
Li26(B24O)3
| 3 | false | 1.834883 | 0.455891 | -0.868213 | false | -1.349681 | 1.547757 |
['B', 'Li', 'O']
|
mp-1202832
|
Ba38Na58Li26H
| 4 | false | 2.174366 | 1.631523 | -0.831176 | false | -1.057763 | 13.645196 |
['Ba', 'H', 'Li', 'Na']
|
mp-570185
|
Ba38Na58Li26N
| 4 | false | 2.160067 | 1.616092 | -0.847561 | false | -1.038013 | 13.473738 |
['Ba', 'Li', 'N', 'Na']
|
mp-676024
|
Li27Sb10
| 2 | false | 1.38743 | -0.616521 | -0.868213 | false | -0.247779 | 0.755084 |
['Li', 'Sb']
|
mp-676620
|
Li27As10
| 2 | false | 1.296811 | 0.222086 | -0.868213 | false | -0.679184 | 0.403857 |
['As', 'Li']
|
mp-531773
|
Li28Mg22N25
| 3 | false | 1.357447 | 0.400475 | -0.868213 | false | -0.977257 | 1.022008 |
['Li', 'Mg', 'N']
|
mp-34355
|
Li31Zr2As13
| 3 | false | 1.497889 | 1.069759 | -0.868213 | false | -0.496802 | 0.948488 |
['As', 'Li', 'Zr']
|
mp-34541
|
Li31Zr2P13
| 3 | false | 1.509739 | 1.011766 | -0.868213 | false | -1.214633 | 0.745158 |
['Li', 'P', 'Zr']
|
mp-35091
|
Li31Zr2Sb13
| 3 | false | 1.468264 | -0.935569 | -0.868213 | false | -0.125763 | 1.427673 |
['Li', 'Sb', 'Zr']
|
mp-1185277
|
K8Li31Al8O32
| 4 | false | -0.45815 | 0.475767 | -0.868213 | false | -0.98235 | 1.400551 |
['Al', 'K', 'Li', 'O']
|
mp-1177743
|
Li32Ti3Cr13O48
| 4 | false | -0.439654 | 0.069497 | -0.103568 | false | -0.153121 | 1.225967 |
['Cr', 'Li', 'O', 'Ti']
|
mp-1177783
|
Li32Mn11Cr5O48
| 4 | true | -0.230248 | 0.125113 | -0.868213 | false | -0.044011 | 1.175136 |
['Cr', 'Li', 'Mn', 'O']
|
mp-1177747
|
Li32Mn13Cr3O48
| 4 | true | -0.236726 | 0.126372 | 0.062456 | true | -0.032666 | 1.171702 |
['Cr', 'Li', 'Mn', 'O']
|
mp-1177991
|
Li32Mn5Cr11O48
| 4 | true | -0.263689 | 0.107389 | -0.3956 | false | -0.088219 | 1.195813 |
['Cr', 'Li', 'Mn', 'O']
|
mp-1177789
|
Li32Mn13Cr3O48
| 4 | true | -0.236852 | 0.126339 | 0.021018 | true | -0.041937 | 1.180758 |
['Cr', 'Li', 'Mn', 'O']
|
mp-1177824
|
Li32Ti13Cr3O48
| 4 | false | -0.952066 | -0.01252 | 0.210537 | true | -0.257571 | 1.281446 |
['Cr', 'Li', 'O', 'Ti']
|
mp-1177811
|
Li32Ti13Cr3O48
| 4 | false | -0.951823 | -0.012456 | 0.167068 | true | -0.259121 | 1.28318 |
['Cr', 'Li', 'O', 'Ti']
|
mp-1177737
|
Li32Ti13Cr3O48
| 4 | false | -0.951401 | -0.012345 | 0.101728 | true | -0.252226 | 1.275478 |
['Cr', 'Li', 'O', 'Ti']
|
mp-776968
|
Li32Ti3Cr13O48
| 4 | false | -0.439595 | 0.069513 | -0.234315 | false | -0.139099 | 1.211388 |
['Cr', 'Li', 'O', 'Ti']
|
mp-776967
|
Li32Ti13Cr3O48
| 4 | false | -0.951369 | -0.012337 | 0.003143 | true | -0.246281 | 1.268874 |
['Cr', 'Li', 'O', 'Ti']
|
mp-776969
|
Li32Ti3Cr13O48
| 4 | false | -0.440018 | 0.069401 | -0.120495 | false | -0.152797 | 1.225628 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777110
|
Li32Ti13Cr3O48
| 4 | false | -0.951709 | -0.012427 | 0.082295 | true | -0.251846 | 1.275055 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777044
|
Li32Ti3Cr13O48
| 4 | false | -0.439695 | 0.069486 | -0.110948 | false | -0.14523 | 1.217741 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777376
|
Li32Ti13Cr3O48
| 4 | false | -0.951195 | -0.012291 | 0.056566 | true | -0.245892 | 1.268443 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777374
|
Li32Ti13Cr3O48
| 4 | false | -0.951587 | -0.012394 | 0.119806 | true | -0.245742 | 1.268277 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777397
|
Li32Ti3Cr13O48
| 4 | false | -0.439042 | 0.069659 | -0.15997 | false | -0.151985 | 1.224779 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777345
|
Li32Ti3Cr13O48
| 4 | false | -0.439736 | 0.069476 | -0.137693 | false | -0.144701 | 1.217191 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777593
|
Li32Ti3Cr13O48
| 4 | false | -0.43909 | 0.069646 | -0.21908 | false | -0.138627 | 1.2109 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777691
|
Li32Mn3Cr13O48
| 4 | true | -0.272711 | 0.102041 | -0.163085 | false | -0.105341 | 1.205299 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777735
|
Li32Ti5Cr11O48
| 4 | false | -0.527032 | 0.057077 | -0.280899 | false | -0.174347 | 1.237021 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777558
|
Li32Ti3Cr13O48
| 4 | false | -0.44015 | 0.069366 | -0.196939 | false | -0.152558 | 1.225378 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777734
|
Li32Mn11Cr5O48
| 4 | true | -0.230952 | 0.124927 | -0.184752 | false | -0.049818 | 1.180835 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777482
|
Li32Ti3Cr13O48
| 4 | false | -0.43945 | 0.069551 | -0.155975 | false | -0.144733 | 1.217224 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777576
|
Li32Mn3Cr13O48
| 4 | true | -0.274217 | 0.101644 | -0.201476 | false | -0.10365 | 1.20358 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777838
|
Li32Mn13Cr3O48
| 4 | true | -0.236959 | 0.126311 | -0.019066 | false | -0.027061 | 1.16626 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777750
|
Li32Mn13Cr3O48
| 4 | true | -0.236801 | 0.126352 | -0.060504 | false | -0.033371 | 1.172388 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777827
|
Li32Mn3Cr13O48
| 4 | true | -0.273996 | 0.101702 | -0.194028 | false | -0.096369 | 1.196212 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777837
|
Li32Mn13Cr3O48
| 4 | true | -0.236585 | 0.126409 | 0.042414 | true | -0.028156 | 1.167321 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777770
|
Li32Mn13Cr3O48
| 4 | true | -0.236881 | 0.126331 | -0.052853 | false | -0.039408 | 1.178281 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777842
|
Li32Mn3Cr13O48
| 4 | true | -0.274687 | 0.10152 | -0.301009 | false | -0.106093 | 1.206063 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777797
|
Li32Mn3Cr13O48
| 4 | true | -0.27437 | 0.101604 | -0.203913 | false | -0.096012 | 1.195852 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777826
|
Li32Mn3Cr13O48
| 4 | true | -0.273527 | 0.101826 | -0.16884 | false | -0.106617 | 1.206596 |
['Cr', 'Li', 'Mn', 'O']
|
mp-778088
|
Li32Mn13Cr3O48
| 4 | true | -0.236696 | 0.12638 | -0.045202 | false | -0.031179 | 1.170256 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777884
|
Li32Mn13Cr3O48
| 4 | true | -0.236975 | 0.126306 | -0.028545 | false | -0.029764 | 1.168882 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777959
|
Li32Mn3Cr13O48
| 4 | true | -0.273782 | 0.101759 | -0.205403 | false | -0.095912 | 1.195751 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777936
|
Li32Ti11Cr5O48
| 4 | false | -0.841378 | 0.006047 | -0.868213 | false | -0.226602 | 1.258867 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777886
|
Li32Mn3Cr13O48
| 4 | true | -0.273522 | 0.101827 | -0.205877 | false | -0.088468 | 1.188266 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777960
|
Li32Mn11Cr5O48
| 4 | true | -0.243523 | 0.121611 | -0.177507 | false | -0.045844 | 1.176931 |
['Cr', 'Li', 'Mn', 'O']
|
mp-778189
|
Li32Mn13Cr3O48
| 4 | true | -0.236824 | 0.126346 | -0.053327 | false | -0.040162 | 1.179019 |
['Cr', 'Li', 'Mn', 'O']
|
mp-778110
|
Li32Mn13Cr3O48
| 4 | true | -0.236503 | 0.126431 | -0.179538 | false | -0.030053 | 1.169162 |
['Cr', 'Li', 'Mn', 'O']
|
mp-778190
|
Li32Mn3Cr13O48
| 4 | true | -0.273893 | 0.101729 | -0.179267 | false | -0.098641 | 1.198506 |
['Cr', 'Li', 'Mn', 'O']
|
mp-778359
|
Li32Mn3Cr13O48
| 4 | true | -0.274189 | 0.101651 | -0.168501 | false | -0.106477 | 1.206453 |
['Cr', 'Li', 'Mn', 'O']
|
mp-778621
|
Li32Ti3Cr13O48
| 4 | false | -0.439678 | 0.069491 | -0.149407 | false | -0.152326 | 1.225135 |
['Cr', 'Li', 'O', 'Ti']
|
mp-1177917
|
Li32Mn11Cr5O48
| 4 | true | -0.243628 | 0.121584 | -0.071406 | false | -0.058661 | 1.189564 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777154
|
Li32Ti11Cr5O48
| 4 | false | -0.840439 | 0.006295 | -0.057458 | false | -0.227445 | 1.259789 |
['Cr', 'Li', 'O', 'Ti']
|
mp-777689
|
Li32Mn5Cr11O48
| 4 | true | -0.250439 | 0.110883 | -0.578348 | false | -0.084059 | 1.191638 |
['Cr', 'Li', 'Mn', 'O']
|
mp-778090
|
Li32Mn11Cr5O48
| 4 | true | -0.241013 | 0.122273 | -0.081833 | false | -0.041355 | 1.172539 |
['Cr', 'Li', 'Mn', 'O']
|
mp-778376
|
Li32Mn5Cr11O48
| 4 | true | -0.265455 | 0.106923 | -0.349963 | false | -0.081531 | 1.189108 |
['Cr', 'Li', 'Mn', 'O']
|
mp-777532
|
Li32Ti5Cr11O48
| 4 | false | -0.528119 | 0.05679 | -0.354635 | false | -0.161736 | 1.223723 |
['Cr', 'Li', 'O', 'Ti']
|
mp-781106
|
Li32Mn5Cr11O48
| 4 | true | -0.247815 | 0.111575 | -0.868213 | false | -0.088055 | 1.195649 |
['Cr', 'Li', 'Mn', 'O']
|
mp-530670
|
Li34(YSb2)13
| 3 | false | 1.138757 | -2.189559 | -0.868213 | false | 0.571694 | 3.50765 |
['Li', 'Sb', 'Y']
|
mp-767765
|
Li34Sb8S7
| 3 | false | 1.131738 | 1.08578 | -0.868213 | false | -0.741935 | 1.366045 |
['Li', 'S', 'Sb']
|
mp-767715
|
Li34(Sb3S2)3
| 3 | false | 1.201752 | 1.1043 | -0.868213 | false | -0.66911 | 1.419359 |
['Li', 'S', 'Sb']
|
mp-850218
|
Li35(FeO4)8
| 3 | true | 0.042621 | 0.416844 | -0.823931 | false | -0.849565 | 1.084812 |
['Fe', 'Li', 'O']
|
mp-757535
|
Li35(RuO4)12
| 3 | false | 0.055593 | 0.284075 | -0.868213 | false | 0.254925 | 1.342836 |
['Li', 'O', 'Ru']
|
mp-569841
|
Ba19Li44
| 2 | false | 2.178516 | 1.558542 | -0.868213 | false | -0.982401 | 11.010803 |
['Ba', 'Li']
|
mp-1177487
|
Li47(CoO4)8
| 3 | true | 0.064409 | 0.538152 | -0.307306 | false | -0.736817 | 1.13252 |
['Co', 'Li', 'O']
|
mp-850945
|
Li47(NiO4)8
| 3 | true | 0.122604 | 0.589605 | -0.145751 | false | -0.720825 | 1.107879 |
['Li', 'Ni', 'O']
|
mp-532427
|
Li47Mn5As19
| 3 | true | 1.514878 | 1.021806 | -0.868213 | false | -0.434773 | 1.892733 |
['As', 'Li', 'Mn']
|
mp-532007
|
Li47Cu7N18
| 3 | false | 1.679342 | 0.561452 | -0.868213 | false | -1.086518 | 1.069187 |
['Cu', 'Li', 'N']
|
mp-1001069
|
Li48P16S61
| 3 | false | 0.890142 | 0.773741 | 0.686062 | true | -1.344163 | 6.430479 |
['Li', 'P', 'S']
|
mp-676829
|
Li49Cu8N19
| 3 | false | 1.686606 | 0.54363 | -0.868213 | false | -1.028787 | 1.177355 |
['Cu', 'Li', 'N']
|
mp-722623
|
Li66Be24H35
| 3 | false | 2.11725 | 1.320546 | -0.868213 | false | -1.966237 | 2.955622 |
['Be', 'H', 'Li']
|
mp-647275
|
Ba39Li80N9
| 3 | false | 2.097097 | 1.405895 | -0.868213 | false | -0.814328 | 10.189519 |
['Ba', 'Li', 'N']
|
mp-1185524
|
Li95Mn16O64
| 3 | true | -0.079223 | 0.449108 | -0.868213 | false | -0.839734 | 3.685992 |
['Li', 'Mn', 'O']
|
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