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-30180 | -6.487653 | -1.848738 | 5.887565 | other | Al12Mo3 | 15 | 8 | 242.86 |
mp-1220533 | -6.504422 | -4.090411 | 0.210952 | other | Ni16Bi16 | 32 | 8 | 622.21 |
mp-1228763 | -6.444046 | -1.652588 | 5.105028 | other | Al16V10 | 26 | 8 | 384.77 |
mp-1247845 | 12.866117 | 7.430564 | 0.69794 | other | Al10O15 | 25 | 8 | 331.06 |
mp-1039659 | -7.714508 | -8.56526 | 6.101585 | other | Ce2Mg4 | 6 | 8 | 151.95 |
mp-1075372 | -2.076218 | -5.91345 | 7.467501 | other | Mg10Si12 | 22 | 8 | 411.66 |
mp-1096876 | 6.826225 | 8.715485 | -2.483582 | other | Cd2O4 | 6 | 8 | 87.74 |
mp-32958 | 8.873516 | 3.015896 | 1.647258 | other | Sm10F5 | 15 | 8 | 404.18 |
mp-1075469 | -2.129143 | -5.885439 | 7.463047 | other | Mg10Si12 | 22 | 8 | 404.17 |
mp-1073100 | -2.159874 | -5.805034 | 7.306413 | other | Mg8Si12 | 20 | 8 | 387.77 |
mp-1094284 | -6.099834 | -10.670184 | 5.629858 | other | Sr2Mg4 | 6 | 8 | 204.3 |
mp-1350912 | 7.913673 | 13.710227 | -1.870796 | other | Mn16O32 | 48 | 8 | 562.25 |
mp-1094455 | -7.676582 | -10.789568 | 4.971498 | other | Mg4Zn2 | 6 | 8 | 118.85 |
mp-1073410 | -2.673006 | -5.358718 | 7.015251 | other | Mg4Si8 | 12 | 8 | 220.41 |
mp-1219596 | -5.319963 | -6.315072 | 0.793133 | other | Rb5Bi4 | 9 | 8 | 429.67 |
mp-1094080 | -3.316927 | -5.272684 | 6.471086 | other | Si18Sn1 | 19 | 8 | 1,101.91 |
mp-1075010 | -2.040457 | -5.87925 | 7.489768 | other | Mg6Si8 | 14 | 8 | 261.26 |
mp-1216505 | -6.835879 | -1.529527 | 4.399576 | other | V12Ga14 | 26 | 8 | 382.18 |
mp-1215779 | -9.195628 | -5.093995 | 2.891749 | other | Zn20Pd6 | 26 | 8 | 369.97 |
mp-1075366 | -2.037333 | -6.054594 | 7.543845 | other | Mg10Si12 | 22 | 8 | 407.22 |
mp-1355192 | 5.323384 | 11.052556 | -2.227201 | other | Fe12O24 | 36 | 8 | 435.65 |
mp-1075412 | -2.210593 | -5.850964 | 7.422813 | other | Mg10Si12 | 22 | 8 | 400.5 |
mp-1073522 | -2.496001 | -5.447054 | 7.064962 | other | Mg4Si8 | 12 | 8 | 224.99 |
mp-1094204 | -5.757597 | -5.900954 | 0.532451 | other | Mg3Sb3 | 6 | 8 | 150.78 |
mp-1224909 | -4.886065 | -4.244329 | 6.141158 | other | Ho12Si16 | 28 | 8 | 580.41 |
mp-1097767 | 4.770692 | -0.176174 | -2.785538 | other | H3S1 | 4 | 8 | 32.85 |
mp-780772 | 11.048162 | 12.036033 | 2.77752 | other | Ta6O15 | 21 | 8 | 269.41 |
mp-1094526 | -7.331736 | -6.793133 | 6.671064 | other | Y4Mg2 | 6 | 8 | 178.05 |
mp-1349907 | 6.14697 | 12.978741 | -2.462745 | other | Co16O32 | 48 | 8 | 516.77 |
mp-1238819 | 12.452251 | 6.993489 | -5.180299 | other | P1O2 | 3 | 8 | 81.93 |
mp-674332 | 11.675611 | 8.505093 | 1.928441 | other | U17O31 | 48 | 8 | 684.17 |
mp-1224231 | -8.018982 | -6.657859 | 2.118541 | other | In18Ag34 | 52 | 8 | 995.1 |
mp-1100444 | -2.50625 | -5.444469 | 7.114314 | other | Mg8Si14 | 22 | 8 | 405.07 |
mp-1094348 | -4.333437 | -3.748261 | 4.569114 | other | Mg3Ti3 | 6 | 8 | 117.08 |
mp-1094539 | -7.081441 | -10.839642 | 4.856361 | other | Mg5Sn1 | 6 | 8 | 139.76 |
mp-760084 | 7.692231 | 10.839906 | -0.93141 | other | Cu8O7 | 15 | 8 | 172.54 |
mp-1094704 | -7.305629 | -10.812127 | 5.109139 | other | Mg5Cd1 | 6 | 8 | 131.58 |
mp-1038866 | -6.748982 | -10.741497 | 5.993818 | other | Ca1Mg5 | 6 | 8 | 154.35 |
mp-973307 | -6.993972 | -10.745267 | 4.996161 | other | Mg5As1 | 6 | 8 | 130.55 |
mp-1100190 | -6.247832 | -9.335326 | 4.49607 | other | Li3Mg3 | 6 | 8 | 125.53 |
mp-1074203 | -3.012719 | -5.189678 | 6.822066 | other | Mg8Si14 | 22 | 8 | 367.45 |
mp-851357 | -6.178037 | -0.495787 | 1.520085 | other | Fe14S7 | 21 | 8 | 260.1 |
mp-1094415 | -7.123549 | -6.801499 | 6.954155 | other | Y5Mg1 | 6 | 8 | 190.7 |
mp-1226927 | 1.95426 | 1.84838 | 1.896386 | other | Ce3N6 | 9 | 8 | 146.77 |
mp-1094186 | -7.701705 | -9.6871 | 6.536201 | other | La1Mg5 | 6 | 8 | 155.8 |
mp-1094296 | -4.866517 | -7.466588 | 3.531376 | other | Sr4Mg2 | 6 | 8 | 264.88 |
mp-1224873 | -6.002691 | -3.460264 | -2.199544 | other | Ga2Te3 | 5 | 8 | 228.51 |
mp-1074148 | -2.571327 | -5.401551 | 7.097257 | other | Mg8Si14 | 22 | 8 | 396.03 |
mp-1094911 | -7.242825 | -10.745728 | 4.715908 | other | Mg4Cd2 | 6 | 8 | 129.05 |
mp-1094250 | -6.78796 | -9.386742 | 3.410546 | other | Mg3Sn3 | 6 | 8 | 148.67 |
mp-1100191 | -7.705666 | -9.948809 | 6.750204 | other | Y1Mg5 | 6 | 8 | 149.41 |
mp-1094208 | -6.784037 | -9.363436 | 3.412822 | other | Mg3Sn3 | 6 | 8 | 150.74 |
mp-1075190 | -2.08886 | -5.870714 | 7.479197 | other | Mg6Si8 | 14 | 8 | 261.61 |
mp-1185827 | -7.174613 | -10.350749 | 4.986097 | other | Mg5In1 | 6 | 8 | 135.36 |
mp-1387939 | 8.619865 | 1.82741 | -0.680509 | other | Cr2F8 | 10 | 8 | 155.25 |
mp-1185918 | -6.72481 | -6.569646 | 2.682622 | other | Mg1In5 | 6 | 8 | 158.85 |
mp-977273 | -8.27454 | -2.094795 | 3.465254 | other | Mg1Rh5 | 6 | 8 | 84.6 |
mp-1080022 | -6.582604 | -3.581156 | 4.180643 | other | Zr4Cu4 | 8 | 8 | 138.78 |
mp-1073033 | -2.247584 | -5.713728 | 7.353764 | other | Mg8Si12 | 20 | 8 | 369.76 |
mp-730522 | 2.053903 | 2.244059 | -3.795497 | other | H1Br1 | 2 | 8 | 57.63 |
mp-1094700 | -6.279628 | -8.77784 | 5.690795 | other | Mg18Al11 | 29 | 8 | 591.17 |
mp-1039471 | -7.073068 | -7.944116 | 3.059589 | other | Mg3Cd3 | 6 | 8 | 127.42 |
mp-1073851 | -2.568442 | -6.791865 | 7.69158 | other | Mg6Si6 | 12 | 8 | 216.65 |
mp-1075377 | -2.064928 | -5.917656 | 7.471751 | other | Mg10Si12 | 22 | 8 | 409.36 |
mp-1224586 | 10.511683 | 7.740684 | -2.378348 | other | Ge10O22 | 32 | 8 | 440.65 |
mp-1359196 | 5.386758 | 11.251509 | -2.422841 | other | Fe12O24 | 36 | 8 | 448.33 |
mp-1223399 | -2.630198 | -2.712641 | -5.351453 | other | La10S14 | 24 | 8 | 655.46 |
mp-1104047 | -6.597325 | -2.109818 | 6.313921 | other | Al12Tc3 | 15 | 8 | 226.38 |
mp-1217166 | -3.945587 | -0.113289 | -4.312404 | other | Ti5S8 | 13 | 8 | 238.41 |
mp-1219114 | -7.391073 | -5.711109 | 2.324487 | other | Sn18Au8 | 26 | 8 | 643.24 |
mp-1094212 | -6.386783 | -6.389482 | 2.120568 | other | Mg2Sn4 | 6 | 8 | 155.9 |
mp-684641 | -6.295084 | -0.619823 | 1.350202 | other | Fe14S7 | 21 | 8 | 261.17 |
mp-1094612 | -7.302807 | -10.843731 | 5.292718 | other | Mg5Ga1 | 6 | 8 | 126.48 |
mp-1094271 | -4.938839 | -7.494717 | 3.844065 | other | Sr3Mg3 | 6 | 8 | 224.43 |
mp-1255599 | -3.271904 | -7.898535 | 7.528975 | other | Mg14Si8 | 22 | 8 | 440.25 |
mp-1235059 | 6.51472 | 5.847408 | -3.615162 | other | Li1O8 | 9 | 8 | 102.64 |
mp-685100 | -1.370664 | 2.363664 | -3.089718 | other | Cu14I19 | 33 | 8 | 1,043.09 |
mp-1039088 | -7.744875 | -9.680703 | 6.473048 | original | Ce1Mg5 | 6 | 8 | 150.96 |
mp-1041282 | 13.014414 | 10.608673 | -0.198749 | other | W12O24 | 36 | 8 | 550.56 |
mp-1094650 | -6.578019 | -9.15134 | 4.785841 | other | Mg3Ga3 | 6 | 8 | 113.96 |
mp-1075120 | -2.323178 | -5.710872 | 7.326894 | other | Mg6Si8 | 14 | 8 | 253.42 |
mp-27821 | -3.394233 | -3.58625 | 0.418645 | other | Ag3P11 | 14 | 8 | 286.2 |
mp-977056 | -8.077771 | -2.966737 | 2.563942 | other | Mg1Pt5 | 6 | 8 | 92.04 |
mp-1232355 | -4.749083 | -4.929379 | 0.120478 | other | Ga8As8 | 16 | 8 | 691.11 |
mp-982380 | -5.742792 | -7.125556 | 3.540582 | other | Li4Mg2 | 6 | 8 | 123.1 |
mp-1184798 | -6.443539 | -6.860865 | 2.367249 | other | In1Pb1 | 2 | 8 | 58.96 |
mp-612918 | -6.938368 | -4.370877 | 5.544279 | other | Dy6Ge8 | 14 | 8 | 309.93 |
mp-1185812 | -6.983684 | -10.77074 | 4.892455 | other | Mg5Ge1 | 6 | 8 | 130.56 |
mp-1094372 | -4.936938 | -7.529294 | 3.567339 | other | Sr5Mg1 | 6 | 8 | 293.06 |
mp-1094604 | -6.940801 | -11.026457 | 5.562823 | other | Li2Mg4 | 6 | 8 | 128.39 |
mp-1599 | 3.113447 | 2.492114 | 0.554137 | other | B4N4 | 8 | 8 | 72.42 |
mp-1352191 | 9.69734 | 9.763701 | -0.354047 | other | Sn16O32 | 48 | 8 | 690.49 |
mp-1349242 | 9.151145 | 12.237669 | -2.581523 | other | Cr16O32 | 48 | 8 | 563.57 |
mp-1042045 | 6.079392 | 11.421219 | -1.628228 | other | Ni16O32 | 48 | 8 | 528.86 |
mp-1073274 | -2.509273 | -5.438201 | 7.090412 | other | Mg4Si8 | 12 | 8 | 223.02 |
mp-1216242 | 0.260866 | 2.285651 | 2.186583 | other | W4N6 | 10 | 8 | 109.45 |
mp-976944 | -5.896514 | -7.004399 | 3.412585 | other | Li5Mg1 | 6 | 8 | 122.51 |
mp-1361684 | 11.929957 | 13.56496 | -2.399541 | other | V12O24 | 36 | 8 | 449.37 |
mp-1181264 | -4.225426 | -4.689163 | -1.498276 | other | Ge1Te1 | 2 | 8 | 555.95 |
mp-1073176 | -2.150578 | -5.809176 | 7.309764 | other | Mg8Si12 | 20 | 8 | 386.96 |
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