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-1103897 | 5.077331 | 3.203216 | -3.426764 | other | Zn2N12 | 14 | 1 | 210.28 |
mp-1074588 | -2.822448 | -7.484704 | 7.508599 | other | Mg16Si12 | 28 | 1 | 555.18 |
mp-1244929 | 11.074654 | 11.107038 | -2.820764 | other | W25O75 | 100 | 1 | 1,709.02 |
mp-684860 | -2.784502 | -2.821435 | -5.193427 | other | Sm39S56 | 95 | 1 | 2,144.18 |
mp-684747 | 9.569747 | 8.562956 | -0.543363 | other | Bi64O96 | 160 | 1 | 2,829.97 |
mp-1218141 | 11.104893 | 11.966053 | 2.737673 | other | Ta2O5 | 7 | 1 | 107.41 |
mp-684619 | -3.981022 | -4.279719 | -3.687568 | other | Pr27Se40 | 67 | 1 | 1,826.07 |
mp-1245096 | 10.002037 | 12.146873 | -4.243776 | other | V30O75 | 105 | 1 | 1,723.16 |
mp-1073545 | -3.039494 | -5.169296 | 6.766022 | other | Mg4Si8 | 12 | 1 | 202.45 |
mp-1406221 | -2.803381 | -5.731391 | 6.512979 | other | Mg6Si8 | 14 | 1 | 254.09 |
mp-714851 | 3.233973 | 2.515904 | 0.61306 | other | B1N1 | 2 | 1 | 16.5 |
mp-1245062 | -4.660874 | -1.813008 | -6.716855 | other | Zn50S50 | 100 | 1 | 2,372.1 |
mp-623782 | -3.01114 | -8.519816 | 1.506419 | other | Eu4Ag4 | 8 | 1 | 7,579.83 |
mp-1075392 | -2.205222 | -5.845408 | 7.380855 | other | Mg6Si8 | 14 | 1 | 278.07 |
mp-1075341 | -1.999337 | -5.975366 | 7.511633 | other | Mg6Si8 | 14 | 1 | 267.45 |
mp-1245250 | 12.666428 | 7.773647 | 0.611579 | other | Al38O21 | 59 | 1 | 1,385.46 |
mp-1074388 | -2.844132 | -7.394924 | 7.604096 | other | Mg16Si12 | 28 | 1 | 539.26 |
mp-685044 | -3.073992 | -2.049349 | -5.060883 | other | Yb16S29 | 45 | 1 | 1,113.77 |
mp-1075217 | -2.4911 | -5.642836 | 7.254145 | other | Mg6Si8 | 14 | 1 | 250.02 |
mp-1074820 | -3.246294 | -7.862457 | 7.475829 | other | Mg14Si8 | 22 | 1 | 443.17 |
mp-1244995 | 2.618112 | 2.530866 | 1.217585 | other | Ga50N50 | 100 | 1 | 1,481.65 |
mp-1247839 | 12.860989 | 7.425097 | 0.664565 | other | Al32O48 | 80 | 1 | 882.34 |
mp-1244916 | 2.640917 | 2.626742 | 1.11061 | other | Ga50N50 | 100 | 1 | 1,567.78 |
mp-1356631 | 10.22871 | 9.748208 | -0.77497 | other | Sb12O24 | 36 | 1 | 687.48 |
mp-1244945 | 15.335551 | 5.712942 | 0.210356 | other | Si30O60 | 90 | 1 | 1,437.58 |
mp-1245099 | 6.641191 | 11.184251 | -1.824144 | other | Co30O60 | 90 | 1 | 1,148.68 |
mp-680260 | -4.83785 | -2.473204 | 2.542769 | other | Ti45Se16 | 61 | 1 | 1,009.33 |
mp-1245201 | -4.672667 | -1.799082 | -6.716301 | other | Zn50S50 | 100 | 1 | 2,358.2 |
mp-1245324 | 12.782361 | 9.970762 | 2.02501 | other | Ti50O50 | 100 | 1 | 1,219.7 |
mp-1245251 | 12.645609 | 7.461532 | 0.626732 | other | Al40O60 | 100 | 1 | 1,047.9 |
mp-1245076 | 10.936131 | 9.122896 | 0.29066 | other | Sn40O40 | 80 | 1 | 1,801.98 |
mp-1075717 | -2.555247 | -5.429665 | 7.111874 | other | Mg10Si18 | 28 | 1 | 517.23 |
mp-1075612 | -2.615902 | -5.40339 | 7.074732 | other | Mg10Si18 | 28 | 1 | 504.44 |
mp-1075655 | -2.634101 | -5.371733 | 7.099819 | other | Mg10Si18 | 28 | 1 | 505.08 |
mp-1075253 | -2.130471 | -5.835916 | 7.443612 | other | Mg12Si16 | 28 | 1 | 514.26 |
mp-1074849 | -3.285571 | -7.950474 | 7.475038 | other | Mg14Si8 | 22 | 1 | 440.05 |
mp-1074279 | -2.953049 | -7.462862 | 7.591531 | other | Mg8Si6 | 14 | 1 | 261.28 |
mp-1245121 | -4.690063 | -1.799819 | -6.719474 | other | Zn50S50 | 100 | 1 | 2,400.9 |
mp-664980 | -3.489438 | -4.308907 | 0.69825 | other | K8P12 | 20 | 1 | 594.27 |
mp-1245267 | 11.192959 | 11.104977 | -2.766056 | other | W25O75 | 100 | 1 | 1,792.15 |
mp-1096899 | 0.639161 | 3.145262 | 1.544708 | other | Cr4N8 | 12 | 1 | 169.26 |
mp-1244919 | 12.605567 | 5.726401 | -1.799123 | other | Be50O50 | 100 | 1 | 826.63 |
mp-1245104 | 12.753405 | 7.378617 | 0.707202 | other | Al40O60 | 100 | 1 | 1,122.82 |
mp-1074349 | -2.830245 | -7.437465 | 7.470719 | other | Mg8Si6 | 14 | 1 | 281.33 |
mp-655446 | -3.149207 | -0.668906 | -4.637008 | other | V1S2 | 3 | 1 | 132.16 |
mp-1074553 | -2.843868 | -7.427393 | 7.567605 | other | Mg16Si12 | 28 | 1 | 534.97 |
mp-1244978 | 10.16056 | 12.166624 | -4.201008 | other | V30O75 | 105 | 1 | 1,936.93 |
mp-1074611 | -2.892143 | -7.525718 | 7.48648 | other | Mg8Si6 | 14 | 1 | 274.8 |
mp-1074380 | -2.859643 | -7.415976 | 7.401063 | other | Mg8Si6 | 14 | 1 | 288.06 |
mp-1245039 | 17.32251 | 9.546076 | 7.808095 | other | Mg40O40 | 80 | 1 | 911.73 |
mp-1244894 | 9.702425 | 9.84171 | -0.368864 | other | Sn34O68 | 102 | 1 | 1,454.15 |
mp-684691 | -4.136177 | -4.295252 | -3.658764 | other | Tm23Se32 | 55 | 1 | 1,474.39 |
mp-1195198 | 4.993569 | 0.147775 | -3.183137 | other | H24S8 | 32 | 1 | 447.61 |
mp-1244996 | 10.051792 | 12.149354 | -4.299101 | other | V30O75 | 105 | 1 | 1,971.64 |
mp-1244870 | 0.801257 | 1.524916 | 2.815535 | other | Ta50N50 | 100 | 1 | 1,251.74 |
mp-1075418 | -2.132185 | -5.900749 | 7.45599 | other | Mg10Si12 | 22 | 1 | 409.81 |
mp-1075013 | -2.097813 | -5.941075 | 7.353896 | other | Mg6Si8 | 14 | 1 | 276.08 |
mp-1244892 | 12.728724 | 7.374625 | 0.677382 | other | Al40O60 | 100 | 1 | 1,085.15 |
mp-1245247 | 11.330844 | 12.913631 | -0.593441 | other | Cr32O48 | 80 | 1 | 939.42 |
mp-1074545 | -2.873132 | -7.445494 | 7.532138 | other | Mg16Si12 | 28 | 1 | 544.72 |
mp-1245274 | -4.763783 | -4.837941 | 0.069947 | other | Ga50As50 | 100 | 1 | 2,346.23 |
mp-974002 | 8.194249 | 2.894237 | -1.049202 | other | O2F6 | 8 | 1 | 102.65 |
mp-1075311 | -2.053528 | -5.89366 | 7.467183 | other | Mg6Si8 | 14 | 1 | 263.68 |
mp-1073929 | -2.642618 | -7.022315 | 7.499217 | other | Mg12Si10 | 22 | 1 | 440.87 |
mp-1075742 | -2.586903 | -5.405158 | 7.10946 | other | Mg10Si18 | 28 | 1 | 508.68 |
mp-1074095 | -3.371835 | -8.058486 | 7.464349 | other | Mg18Si10 | 28 | 1 | 542.87 |
mp-1245287 | 2.929991 | 2.405849 | 1.682918 | other | Si45N60 | 105 | 1 | 1,214.58 |
mp-1074923 | -3.264297 | -7.917443 | 7.484889 | other | Mg14Si8 | 22 | 1 | 440.69 |
mp-1245128 | 17.056362 | 9.417443 | 7.743025 | other | Mg40O40 | 80 | 1 | 949.36 |
mp-1245125 | 10.947756 | 10.713961 | -3.795985 | other | Mo25O75 | 100 | 1 | 2,050.91 |
mp-1245209 | 10.277699 | 8.996131 | 0.089022 | other | Zn40O40 | 80 | 1 | 1,085.01 |
mp-1245199 | -4.649129 | -1.78875 | -6.676315 | other | Zn50S50 | 100 | 1 | 2,378.48 |
mp-1245252 | 3.656886 | 2.718966 | -2.753866 | other | Sb50N50 | 100 | 1 | 4,027.72 |
mp-1074094 | -2.525611 | -5.428569 | 7.122005 | other | Mg8Si14 | 22 | 1 | 405.31 |
mp-1245309 | 12.563442 | 9.317146 | 2.318371 | other | Ti68O34 | 102 | 1 | 1,393.83 |
mp-32854 | 9.636698 | 4.410976 | -4.164145 | other | H11O8 | 19 | 1 | 205.94 |
mp-1245186 | 12.559555 | 9.300561 | 2.29212 | other | Ti68O34 | 102 | 1 | 1,387.41 |
mp-1244963 | 12.628965 | 5.729305 | -1.746769 | other | Be50O50 | 100 | 1 | 830.08 |
mp-1245270 | 13.418485 | 4.44089 | -2.493004 | other | B40O60 | 100 | 1 | 1,424.03 |
mp-1395134 | 9.242353 | 2.551243 | 0.526711 | other | Mo2F8 | 10 | 1 | 145.61 |
mp-1224298 | -8.038624 | -3.779479 | 2.832603 | other | In9Pt12 | 21 | 1 | 383.65 |
mp-1244970 | 12.747459 | 7.386298 | 0.679435 | other | Al40O60 | 100 | 1 | 1,109.45 |
mp-1245018 | 11.915992 | 8.105494 | -0.027921 | other | Ga32O48 | 80 | 1 | 1,053.83 |
mp-1245110 | 12.72473 | 7.871087 | 0.604425 | other | Al36O18 | 54 | 1 | 1,381.98 |
mp-1075421 | -2.421394 | -5.956697 | 7.458065 | other | Mg10Si12 | 22 | 1 | 403.42 |
mp-1244920 | 10.069848 | 12.181608 | -4.29096 | other | V30O75 | 105 | 1 | 1,930.72 |
mp-1245069 | 2.620857 | 2.732506 | 0.914811 | other | Ga50N50 | 100 | 1 | 1,677.61 |
mp-1244922 | -4.70322 | -1.798942 | -6.758753 | other | Zn50S50 | 100 | 1 | 2,393.49 |
mp-1075609 | -2.646801 | -5.371593 | 7.067675 | other | Mg10Si18 | 28 | 1 | 500.62 |
mp-1073134 | -2.078677 | -5.854349 | 7.439463 | other | Mg8Si12 | 20 | 1 | 375.44 |
mp-1244647 | -2.238912 | -5.788043 | 7.378545 | other | Mg6Si8 | 14 | 1 | 267.97 |
mp-1389247 | -2.447133 | -6.030403 | 6.350509 | other | Mg8Si6 | 14 | 1 | 276.2 |
mp-1245027 | 9.474071 | 9.774246 | -0.39815 | other | Sn30O60 | 90 | 1 | 1,245.46 |
mp-696588 | 4.013061 | -0.303803 | -2.4769 | other | P4H12 | 16 | 1 | 395.67 |
mp-673649 | -3.815981 | -1.279659 | -3.811971 | other | Zr23S32 | 55 | 1 | 1,112.91 |
mp-1096901 | 0.739589 | 2.851945 | 1.739367 | other | Cr4N8 | 12 | 1 | 203.22 |
mp-1073395 | -2.784787 | -5.307423 | 6.953498 | other | Mg8Si16 | 24 | 1 | 418.86 |
mp-661384 | 13.352098 | 7.151301 | -6.322464 | other | P4O10 | 14 | 1 | 187.95 |
mp-1245185 | 13.533139 | 4.37947 | -2.485839 | other | B40O60 | 100 | 1 | 1,324.45 |
mp-1184796 | 9.412984 | 2.496013 | -2.539233 | other | H6F4 | 10 | 1 | 107.9 |
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