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-1221536 | -8.275719 | -3.853617 | 2.118783 | other | Mn4Sn2Pd6 | 12 | 164 | 191.43 |
mp-1217100 | -5.438431 | -2.161218 | 2.128723 | other | Ti3Mo1As4 | 8 | 164 | 138.32 |
mp-1025305 | -4.097105 | -0.319645 | -4.258043 | other | Nb2Cu1S4 | 7 | 164 | 143.5 |
mp-1247335 | 0.527405 | 2.56138 | 1.973636 | other | Mn2Se1N2 | 5 | 164 | 56.09 |
mp-569912 | 0.37114 | 0.800682 | -2.871138 | other | Ca3Si1Br2 | 6 | 164 | 199.77 |
mp-1017549 | 5.333749 | -0.139102 | -2.749166 | other | Ca1B2H2 | 5 | 164 | 41.66 |
mp-1228005 | -5.858224 | -6.822696 | 2.987 | other | Ba2Ga2Sn2 | 6 | 164 | 199.68 |
mp-1220073 | -7.46096 | -6.317353 | 4.575962 | other | Nd2Zn2Sn2 | 6 | 164 | 151.73 |
mp-1029337 | 1.673484 | 1.731923 | 2.62639 | other | Zr2Se1N2 | 5 | 164 | 76.83 |
mp-976876 | -0.338997 | 0.61205 | -0.172136 | other | K2Pt1C2 | 5 | 164 | 118.77 |
mp-9571 | -4.855036 | -4.950695 | 0.246378 | other | Ca1Zn2As2 | 5 | 164 | 104.44 |
mp-1028978 | -7.204568 | 1.670636 | -4.528949 | other | Mo2W2Se8 | 12 | 164 | 361.92 |
mp-625487 | 10.918506 | 3.929415 | -3.963081 | other | Zn1H2O2 | 5 | 164 | 41.04 |
mp-1207029 | 11.418929 | 8.478436 | 2.340369 | other | Np2S1O2 | 5 | 164 | 91.81 |
mp-1246256 | 1.028376 | 2.371619 | 1.707396 | other | Li2Rh1N2 | 5 | 164 | 45.62 |
mp-1216938 | 9.495598 | 11.476027 | 0.145806 | other | Ti1Cu3O4 | 8 | 164 | 91.06 |
mp-1017548 | -3.434407 | -4.094528 | 0.851074 | other | Ca1Be2P2 | 5 | 164 | 80.32 |
mp-1077469 | -5.899782 | -5.901974 | 0.80732 | other | Li3Gd1Bi2 | 6 | 164 | 138.15 |
mp-1216970 | -7.628845 | -3.880392 | 4.073915 | other | Ti2Ga2Cu2 | 6 | 164 | 87.66 |
mp-20793 | -4.646899 | -0.963871 | -5.601811 | other | Ga2Fe1S4 | 7 | 164 | 143.88 |
mp-1028772 | -6.504211 | 2.257254 | -5.621442 | other | W4Se4S4 | 12 | 164 | 338.42 |
mp-1219257 | 1.061822 | 1.577381 | 2.687959 | other | Sc2Ta2N2 | 6 | 164 | 85.23 |
mp-10314 | -5.095 | -4.754629 | 0.283414 | other | Yb1Zn2As2 | 5 | 164 | 105.57 |
mp-865185 | -4.826134 | -4.769506 | 0.341508 | other | Mg1Be2As2 | 5 | 164 | 79.58 |
mp-505825 | -0.642706 | 0.494133 | -0.055928 | other | Cs2Pt1C2 | 5 | 164 | 146.73 |
mp-13975 | 10.902682 | 7.965643 | 2.937255 | other | Er2Se1O2 | 5 | 164 | 83.18 |
mp-985304 | -4.733619 | -0.91778 | -5.916391 | other | Cr1Ga2S4 | 7 | 164 | 143.34 |
mp-2647048 | -5.678183 | -2.515388 | -1.362669 | other | Ti2Te2C1 | 5 | 164 | 109.22 |
mp-23709 | 3.447514 | -0.665134 | -2.593643 | other | Mg1Al2H8 | 11 | 164 | 143.29 |
mp-31907 | 10.243279 | 10.706516 | -3.426929 | other | Mn4Re8O32 | 44 | 164 | 809.64 |
mp-1030461 | -8.340681 | 2.429144 | -4.100233 | other | Te4Mo4S4 | 12 | 164 | 374 |
mp-1246881 | 0.433779 | 2.647135 | 1.896447 | other | Fe2Pb1N2 | 5 | 164 | 64.95 |
mp-1207200 | -4.534048 | -4.483413 | 6.154565 | other | Nd2Al2Si4 | 8 | 164 | 167.19 |
mp-1224326 | -5.548157 | -3.470176 | -2.083326 | other | Ge3Te2Se1 | 6 | 164 | 153.53 |
mp-1227359 | -5.300102 | -1.19778 | 4.579129 | other | Be8Al2Cr2 | 12 | 164 | 112.72 |
mp-1048821 | 8.206546 | 13.634796 | -1.140313 | other | Al4Fe12O24 | 40 | 164 | 448.58 |
mp-8994 | 8.642406 | 1.587746 | 1.34751 | other | Rb2Nb1F6 | 9 | 164 | 150.8 |
mp-20151 | -5.94239 | -5.362768 | 5.019918 | other | Eu1Al2Ge2 | 5 | 164 | 110.88 |
mp-29069 | -4.770534 | -1.407462 | -5.756964 | other | Na1Cu4S4 | 9 | 164 | 150.09 |
mp-1045059 | 8.662708 | 13.311045 | -0.817349 | other | Y4Fe12O24 | 40 | 164 | 515.24 |
mp-30245 | 12.161657 | 4.816363 | -3.235501 | other | Mg3H4O5 | 12 | 164 | 98 |
mp-1019561 | 11.645829 | 7.434283 | -0.055069 | other | Ca4Ge2O8 | 14 | 164 | 200.09 |
mp-9006 | 8.564468 | 2.571274 | 1.767408 | other | Ho2C1F2 | 5 | 164 | 71.63 |
mp-1018779 | -5.524826 | -5.505468 | 0.700027 | other | Li3Pr1Sb2 | 6 | 164 | 135.99 |
mp-2224448 | 6.962646 | 12.98409 | -1.360456 | other | Mg1Ni2O4 | 7 | 164 | 66.96 |
mp-1204269 | -7.228474 | -5.318079 | 3.193769 | other | Dy7Co6Sn23 | 36 | 164 | 968.19 |
mp-554337 | 8.376058 | 0.965648 | 0.343065 | other | Rb2Ir1F6 | 9 | 164 | 145.8 |
mp-7038 | -4.864471 | -2.133864 | -3.228653 | other | Tl2Pd4Se6 | 12 | 164 | 283.68 |
mp-1206799 | 3.098884 | -0.586507 | -2.252523 | other | Ba1Ga2H2 | 5 | 164 | 88.36 |
mp-1226190 | -3.899391 | -0.327044 | -3.892909 | other | Cs1Nb2S4 | 7 | 164 | 179.15 |
mp-10436 | -4.379258 | -4.710568 | 6.20049 | other | Tb1Al2Si2 | 5 | 164 | 100.14 |
mp-1078896 | -4.804945 | -0.976432 | -5.620096 | other | Mn2Ga2S5 | 9 | 164 | 184.55 |
mp-1101124 | 6.635925 | 7.153168 | -2.014587 | other | Ti1Cu3O4 | 8 | 164 | 1,170.66 |
mp-9564 | -4.978238 | -5.107812 | 0.366184 | other | Ca1Mg2As2 | 5 | 164 | 116.81 |
mp-30247 | 11.686475 | 4.342781 | -3.671184 | other | Mg1H2O2 | 5 | 164 | 39.48 |
mp-1206280 | -5.582795 | -5.510771 | 0.793688 | other | Li3Y1Sb2 | 6 | 164 | 127.82 |
mp-1215276 | -7.285373 | -4.238774 | 4.168866 | other | Zr2Ga2Cu2 | 6 | 164 | 102.5 |
mp-1218845 | -5.894738 | -5.806326 | 3.84925 | other | Sr2Eu3Ge10 | 15 | 164 | 381.27 |
mp-1541458 | 10.002123 | 10.629911 | -3.344577 | other | Mg1Re2O8 | 11 | 164 | 178.61 |
mp-23077 | 1.395952 | 2.400682 | -5.570381 | other | Cs2U1Cl6 | 9 | 164 | 299.21 |
mp-7825 | 8.712454 | 1.119906 | 1.025689 | other | K2Ge1F6 | 9 | 164 | 125.4 |
mp-13971 | 10.53391 | 7.88509 | 2.855606 | other | Nd2Se1O2 | 5 | 164 | 97.57 |
mp-1218027 | -7.084593 | 0.198746 | 4.367647 | other | Ta2Al2Fe8 | 12 | 164 | 152.18 |
mp-1216019 | -5.453097 | -1.90382 | 4.968841 | other | Yb2Fe4Si9 | 15 | 164 | 223.54 |
mp-1215310 | -5.796109 | -1.438712 | 3.825145 | other | Zr2Al2Mo8 | 12 | 164 | 211.94 |
mp-571302 | -4.447037 | -4.603755 | 6.12379 | other | Pr3Al4Si6 | 13 | 164 | 275.54 |
mp-4805 | 10.234086 | 8.160863 | 2.969026 | other | Gd2S1O2 | 5 | 164 | 85.81 |
mp-1217293 | -8.885961 | 2.569619 | -3.920598 | original | Te2Mo2Se2 | 6 | 164 | 145.92 |
mp-5598 | 10.696606 | 7.973373 | 2.818784 | original | Sm2S1O2 | 5 | 164 | 88.84 |
mp-1218890 | -8.566285 | -2.980687 | 2.489392 | other | Sr1B4Pt6 | 11 | 164 | 173.66 |
mp-769280 | 10.512493 | 10.996293 | 3.316154 | other | Ca5Ta4O15 | 24 | 164 | 316.04 |
mp-1245916 | 1.114437 | 2.320257 | 2.04539 | other | Li2Cr1N2 | 5 | 164 | 41.71 |
mp-1198642 | -7.419663 | -4.96183 | 3.148415 | other | Y7Co6Sn23 | 36 | 164 | 801.13 |
mp-1205774 | 8.741297 | 1.64948 | 1.115028 | other | Cs2Re1F6 | 9 | 164 | 169.09 |
mp-1206626 | -5.973748 | -3.527438 | -1.808887 | other | Ho1Cu1Te2 | 4 | 164 | 106.58 |
mp-1226776 | 11.087667 | 8.515729 | 2.465666 | other | Ce2U1O6 | 9 | 164 | 121.77 |
mp-1206623 | 8.426118 | 0.72355 | 0.213461 | other | Cs2Rh1F6 | 9 | 164 | 165.54 |
mp-1219510 | -5.815361 | -0.394067 | 3.546095 | other | Ru3W3C2 | 8 | 164 | 103.16 |
mp-1096867 | -5.329707 | -2.944295 | -4.446767 | other | Cd1Cu2Se2 | 5 | 164 | 94.85 |
mp-632657 | 1.843265 | 2.260163 | 1.980797 | other | Zr2N2Cl2 | 6 | 164 | 126.25 |
mp-1215189 | -3.943399 | -0.436885 | -4.311315 | other | Zr1Ti1S4 | 6 | 164 | 135.75 |
mp-1205971 | 8.580798 | 1.132342 | 0.873992 | other | K2Sn1F6 | 9 | 164 | 136.1 |
mp-1213283 | -7.469863 | -4.81549 | 3.106727 | other | Er7Co6Sn23 | 36 | 164 | 787.87 |
mp-1097794 | 13.039471 | 9.762075 | 1.352096 | other | Ti2H2O3 | 7 | 164 | 72.85 |
mp-1018768 | -5.889658 | -5.865188 | 0.841008 | other | Li3La1Bi2 | 6 | 164 | 147.64 |
mp-1224971 | -5.867999 | -0.984318 | -3.865491 | other | Fe1Co1S2 | 4 | 164 | 49.42 |
mp-1224675 | -4.672105 | -1.476496 | -5.77034 | other | Ho2Cu6S6 | 14 | 164 | 261.5 |
mp-1220471 | -6.209331 | -1.138705 | 4.374907 | other | Nb2Cr8Si2 | 12 | 164 | 157.25 |
mp-1216145 | -5.532401 | -1.841523 | 4.922223 | other | Y2Fe4Si9 | 15 | 164 | 216.29 |
mp-1227870 | -8.555615 | -0.2667 | 4.480239 | other | Ce4Zr2Co32 | 38 | 164 | 502.16 |
mp-30242 | 17.335974 | 9.475893 | 6.809356 | other | Mg4H2O5 | 11 | 164 | 94.21 |
mp-1225488 | -5.49704 | -1.280194 | 4.065871 | other | Er2Th2Re8 | 12 | 164 | 230.72 |
mp-2352785 | -4.02498 | -1.253509 | -5.910933 | other | Zn2In4S8 | 14 | 164 | 377.11 |
mp-12668 | 10.820688 | 7.8714 | 2.886696 | other | Tb2S1O2 | 5 | 164 | 83.13 |
mp-1025099 | -0.691887 | 1.071386 | -1.950471 | other | Tb2Ga2I2 | 6 | 164 | 176.83 |
mp-582227 | -5.645313 | -5.133569 | 0.668932 | other | Eu1Mn2Sb2 | 5 | 164 | 135.07 |
mp-1227043 | -3.021383 | -3.485034 | -4.179776 | other | Ca1Sm2S3 | 6 | 164 | 137.23 |
mp-1225636 | -5.512725 | -1.288355 | 4.043063 | other | Dy2Th2Re8 | 12 | 164 | 233.53 |
mp-1225689 | -7.462883 | -1.165815 | 5.533964 | other | Dy2Tm2Mn8 | 12 | 164 | 187.48 |
mp-769297 | 10.237396 | 10.785224 | 3.49097 | other | Sr5Ta4O15 | 24 | 164 | 321.31 |
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