mp_ID stringlengths 4 10 | x float64 -10.28 17.7 | y float64 -12.01 23.9 | z float64 -8.99 7.96 | type stringclasses 2
values | formula stringlengths 2 26 | n_atoms int64 1 444 | spacegroup int64 1 230 | volume float64 5.61 20.1k |
|---|---|---|---|---|---|---|---|---|
mp-1208199 | 4.755196 | 2.604162 | -3.066451 | other | Ti1C3 | 4 | 65 | 49.89 |
mp-1214610 | 4.272896 | 2.535412 | -3.31886 | other | Ca1C12 | 13 | 65 | 718.6 |
mp-1206287 | -8.063932 | -6.26486 | 5.299903 | other | Lu2In4 | 6 | 65 | 144.59 |
mp-753759 | 10.163212 | 2.595866 | 0.26321 | other | V1F4 | 5 | 65 | 64.57 |
mp-1223839 | -7.878387 | -6.71301 | 2.050535 | other | In1Ag3 | 4 | 65 | 79.45 |
mp-541131 | -7.217405 | -5.651122 | 3.671714 | other | Ce4Sn10 | 14 | 65 | 382.35 |
mp-1079218 | -7.114609 | -5.674068 | 3.701527 | other | Ho3Sn7 | 10 | 65 | 256.01 |
mp-1220334 | -5.659743 | -1.818301 | 3.724728 | other | Nb1V1 | 2 | 65 | 32.07 |
mp-1207348 | 2.226793 | 2.857439 | -4.023669 | other | Ni1Cl6 | 7 | 65 | 2,949.92 |
mp-1215543 | -3.876872 | -1.430141 | -3.54969 | other | Zr3S4 | 7 | 65 | 137.65 |
mp-755875 | 12.857864 | 10.105334 | 1.883148 | other | Ti3O4 | 7 | 65 | 71.68 |
mp-1224292 | -5.662211 | -3.59818 | 3.981353 | other | Hf1Ta1 | 2 | 65 | 39.85 |
mp-1207313 | 2.096045 | 2.78058 | -4.008581 | other | Mg1Cl6 | 7 | 65 | 3,813.04 |
mp-1079241 | -4.605023 | -4.340184 | 5.881043 | other | Ce2Si7 | 9 | 65 | 156.43 |
mp-11413 | -7.750415 | -4.41552 | 5.463647 | other | Sc2Ga4 | 6 | 65 | 106.23 |
mp-1220327 | -5.661971 | -1.606806 | 3.678943 | other | Nb1Mo1 | 2 | 65 | 33.68 |
mp-1182251 | -7.145883 | -5.651818 | 3.468152 | other | Er3Sn7 | 10 | 65 | 269.27 |
mp-1079704 | -7.178263 | -5.6533 | 3.652502 | other | Tb3Sn7 | 10 | 65 | 260.71 |
mp-1221647 | -6.896831 | -0.622517 | 4.086931 | other | Mn1Cr1 | 2 | 65 | 23.58 |
mp-1217988 | -5.818886 | -2.280055 | 3.764183 | other | Ta3Ru1 | 4 | 65 | 68.92 |
mp-1215483 | -9.78124 | -4.847649 | 3.544663 | other | Zn3Cu1 | 4 | 65 | 56.07 |
mp-1077015 | 0.921971 | 1.997493 | -4.495413 | other | Na4Cl2 | 6 | 65 | 171.78 |
mp-639558 | 15.591838 | 5.675386 | 0.369511 | other | Si28O56 | 84 | 65 | 1,798.62 |
mp-30663 | -8.055273 | -3.141928 | 2.777126 | other | Ga3Pt5 | 8 | 65 | 119.17 |
mp-1213653 | 4.518427 | 2.508671 | -3.291032 | other | Cu1C6 | 7 | 65 | 123.12 |
mp-1219485 | -5.939132 | -0.663962 | 3.567439 | other | Re1Mo1 | 2 | 65 | 31.04 |
mp-11398 | -8.117822 | -1.761884 | 2.637656 | other | Ga3Ni5 | 8 | 65 | 91.85 |
mp-1181502 | 6.718519 | 6.027436 | -3.711264 | other | Cs1O2 | 3 | 65 | 62.81 |
mp-1212183 | -2.818662 | -8.148236 | 1.752766 | other | Li7Al6 | 13 | 65 | 7,320.9 |
mp-1212244 | -2.983619 | -8.510242 | 1.314736 | other | In3Hg1 | 4 | 65 | 635.77 |
mp-1206318 | -7.233362 | -5.824084 | 3.904281 | other | Nd3Sn7 | 10 | 65 | 275.73 |
mp-1220638 | -5.398462 | -2.836089 | 3.018244 | other | Nb3Bi1 | 4 | 65 | 82.28 |
mp-1226063 | -8.7355 | -0.498984 | 3.425122 | other | Co1Ni1 | 2 | 65 | 21.69 |
mp-1096770 | 1.135198 | 2.254842 | -4.750738 | other | Ni3Cl4 | 7 | 65 | 121.49 |
mp-1206888 | 0.252315 | 2.258724 | -3.130027 | other | Dy1I6 | 7 | 65 | 6,832.33 |
mp-1219670 | -6.067797 | -4.658731 | 3.484463 | other | Pu1Ga1 | 2 | 65 | 34.31 |
mp-1208306 | -3.41502 | -1.410473 | -4.178751 | other | Tb1S3 | 4 | 65 | 312.6 |
mp-1224754 | -7.648825 | -0.30563 | 3.31542 | other | Fe3Pd1 | 4 | 65 | 51.79 |
mp-1227305 | -5.837636 | -3.870706 | -1.721573 | other | Bi1Te1 | 2 | 65 | 62.51 |
mp-1217895 | -5.778264 | -1.712041 | 3.902077 | other | Ta1Mo1 | 2 | 65 | 33.45 |
mp-22558 | -5.22473 | -2.73802 | 4.385602 | other | Ti1Si1 | 2 | 65 | 29.26 |
mp-1224892 | -7.444065 | -0.026753 | 3.759124 | other | Ga1Fe3 | 4 | 65 | 49.86 |
mp-1215526 | -7.650867 | 0.209117 | 3.862533 | other | Zn1Fe3 | 4 | 65 | 48.52 |
mp-1216655 | -5.854938 | -1.528499 | 3.85879 | other | Ti1Mo1 | 2 | 65 | 31.98 |
mp-1207230 | 0.481725 | 2.092377 | -3.870373 | other | Mg1Br6 | 7 | 65 | 4,908.05 |
mp-1221387 | -5.947703 | -0.563924 | 3.473886 | other | Mo1W1 | 2 | 65 | 31.66 |
mp-1208342 | -4.508282 | -4.783708 | -1.10229 | other | Tb1Te3 | 4 | 65 | 494.32 |
mp-1215202 | -5.709522 | -3.214965 | 3.819841 | other | Zr1Nb1 | 2 | 65 | 40.87 |
mp-1206509 | -5.669912 | -3.780142 | 3.800728 | other | U4Tc2 | 6 | 65 | 113.01 |
mp-1209854 | -7.221703 | -5.787172 | 3.856222 | other | Nd4Sn10 | 14 | 65 | 383.37 |
mp-1227075 | -5.700674 | -7.346389 | 4.887746 | other | Ca1Y1 | 2 | 65 | 71.62 |
mp-1219493 | -6.044953 | -0.617261 | 3.450091 | other | Re1Mo3 | 4 | 65 | 62.8 |
mp-1225695 | -8.985957 | -1.63214 | 2.83638 | other | Cu1Ni1 | 2 | 65 | 21.93 |
mp-1222270 | -6.286865 | -9.372018 | 4.589165 | other | Li1Mg1 | 2 | 65 | 41.51 |
mp-30683 | -6.846611 | -3.701264 | 4.550574 | other | Zr2Ga4 | 6 | 65 | 106.21 |
mp-1226211 | -7.111377 | -0.028053 | 3.956666 | other | Cr1Fe1 | 2 | 65 | 22.82 |
mp-1066497 | -5.148026 | -2.346005 | -3.407597 | other | Fe2Se2 | 4 | 67 | 85.32 |
mp-600018 | 15.665872 | 5.653561 | 0.382346 | other | Si24O48 | 72 | 67 | 1,255.41 |
mp-653763 | 15.640776 | 5.632337 | 0.338512 | other | Si56O112 | 168 | 67 | 3,333.19 |
mp-557870 | 8.594748 | 1.487977 | 2.067528 | other | La4F12 | 16 | 67 | 206.27 |
mp-1206371 | 2.554209 | -0.179161 | -1.462083 | other | Nb2H2 | 4 | 67 | 42.43 |
mp-1080586 | -7.531604 | -4.485762 | 2.752694 | other | Sn8Ir2 | 10 | 68 | 232.34 |
mp-1393 | -7.286291 | -5.700029 | 2.43717 | other | Sn8Au2 | 10 | 68 | 255.14 |
mp-556088 | 15.603718 | 5.59392 | 0.31007 | other | Si16O32 | 48 | 68 | 929.57 |
mp-2128 | -7.445121 | -5.249914 | 2.461058 | other | Sn8Pd2 | 10 | 68 | 241.86 |
mp-20662 | -7.435081 | -5.107758 | 2.406324 | other | Sn8Pt2 | 10 | 68 | 239.39 |
mp-559860 | 15.272249 | 5.667168 | 0.130361 | other | Si8O16 | 24 | 68 | 375.08 |
mp-1200062 | -7.966223 | -3.871953 | 4.730445 | other | Ga32Rh6 | 38 | 68 | 663.56 |
mp-1080042 | 5.380573 | 1.954519 | -2.878322 | other | Ir2C8 | 10 | 68 | 94.4 |
mp-570534 | -0.131171 | 0.624513 | -3.25472 | other | Nd16Br36 | 52 | 7 | 1,609.31 |
mp-1201958 | 10.722434 | 10.675708 | -3.731345 | other | Mo32O92 | 124 | 7 | 1,859.78 |
mp-31311 | -8.203282 | -3.286534 | 5.066801 | other | Ga18Ir4 | 22 | 7 | 361.05 |
mp-553881 | 14.180753 | 6.496541 | -0.500425 | other | Si4O8 | 12 | 7 | 130.32 |
mp-31243 | -4.677171 | -5.077789 | 0.456956 | other | Ba6As12 | 18 | 7 | 547.24 |
mp-685156 | 11.522504 | 10.574629 | -2.969124 | other | Mo4O12 | 16 | 7 | 228.51 |
mp-1274771 | 11.927061 | 13.609186 | -2.326555 | other | V8O16 | 24 | 7 | 280.08 |
mp-1197287 | -3.661326 | -1.377512 | -5.609156 | other | Ge12S24 | 36 | 7 | 971.76 |
mp-31312 | -8.149126 | -3.534869 | 4.88107 | other | Ga18Rh4 | 22 | 7 | 359.16 |
mp-38511 | -4.090409 | -1.382914 | -5.473974 | other | Ag4S2 | 6 | 7 | 121.65 |
mp-715474 | 10.473227 | 10.554713 | -3.815841 | other | Mo4O12 | 16 | 7 | 244.32 |
mp-571547 | -5.825638 | -2.953398 | -1.982767 | other | Te8Au4 | 12 | 7 | 335.3 |
mp-1120827 | 0.84381 | 1.567291 | 2.618293 | other | Nb12N4 | 16 | 7 | 251.26 |
mp-1181570 | 9.485796 | 13.26694 | -0.748636 | other | Fe12O16 | 28 | 7 | 289.26 |
mp-1196958 | 11.042201 | 13.326429 | -3.527915 | other | V12O26 | 38 | 7 | 461.99 |
mp-768262 | 10.471919 | 2.635697 | 1.036452 | other | V6F20 | 26 | 7 | 361.54 |
mp-715584 | 10.225238 | 10.587262 | -3.844194 | other | Mo4O12 | 16 | 7 | 216.31 |
mp-759972 | 9.989214 | 2.577024 | 0.280361 | other | V2F8 | 10 | 7 | 147.22 |
mp-1019080 | 0.666341 | 2.410002 | 1.844388 | other | Re2N4 | 6 | 7 | 68.06 |
mp-673245 | -1.306211 | 2.504273 | -3.233757 | original | Cu4I4 | 8 | 7 | 222.99 |
mp-1015076 | 0.641179 | 3.102947 | 1.551216 | other | Cr4N8 | 12 | 7 | 161.92 |
mp-684798 | -5.901308 | -3.220567 | -2.778528 | other | Ag8Te4 | 12 | 7 | 315.29 |
mp-1198417 | 7.326428 | 8.626514 | -3.874753 | other | Cr8O30 | 38 | 7 | 666.39 |
mp-1080264 | -4.266859 | -4.497933 | -3.40646 | other | Ce4Se8 | 12 | 7 | 393.6 |
mp-715574 | 10.592241 | 10.547736 | -3.856942 | other | Mo4O12 | 16 | 7 | 291.48 |
mp-684707 | -5.475901 | -0.697602 | -4.06719 | other | Fe28S48 | 76 | 7 | 1,102.44 |
mp-2704783 | 11.48287 | 10.641116 | -3.022004 | other | Mo4O12 | 16 | 7 | 218.75 |
mp-1080298 | -4.261971 | -4.971594 | -3.407523 | other | Ce8Se16 | 24 | 70 | 1,819.89 |
mp-555483 | 15.228455 | 5.83139 | 0.209567 | other | Si4O8 | 12 | 70 | 163.87 |
mp-20887 | -7.045214 | -3.708446 | 2.635709 | other | V4Sn8 | 12 | 70 | 241.95 |
mp-1179882 | 1.919438 | 2.290496 | 0.887195 | other | Na4N4 | 8 | 70 | 111.87 |
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