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-1179707 | -5.239691 | 0.922086 | -4.518406 | other | Sr1Mo6S8 | 15 | 2 | 339.58 |
mp-1046047 | 12.886741 | 10.049291 | 0.38899 | other | Mg2W9O13 | 24 | 2 | 325.41 |
mp-645701 | -8.371719 | -6.285905 | 6.533348 | other | Er34Te6Ru12 | 52 | 2 | 1,319.62 |
mp-1194200 | 6.970995 | 6.061758 | -4.283247 | other | Zn4S4O22 | 30 | 2 | 549.9 |
mp-705828 | 6.074715 | 13.244056 | -1.511369 | other | Li23Ni17O40 | 80 | 2 | 670.14 |
mp-1232402 | 6.957437 | 6.684363 | -3.965327 | other | Na4Ru2O14 | 20 | 2 | 371.31 |
mp-1205381 | 8.728136 | 8.877944 | -0.146524 | other | Cs16Fe4O12 | 32 | 2 | 857.94 |
mp-622262 | -4.669816 | -1.310884 | -2.4274 | other | Te24Mo4Br12 | 40 | 2 | 1,444.44 |
mp-1247456 | 1.155252 | 2.26695 | 1.420071 | other | Ca6Ni6N10 | 22 | 2 | 279.56 |
mp-1245654 | 0.574379 | 2.579629 | 1.807088 | other | Co8Sn2N8 | 18 | 2 | 205.78 |
mp-1182495 | 6.025911 | 3.30661 | -3.545821 | other | Cr4C40O16 | 60 | 2 | 1,457.57 |
mp-542140 | -4.436144 | -2.350363 | -3.462438 | other | Ta4Tl8Se22 | 34 | 2 | 1,007.34 |
mp-1200679 | 5.815494 | 2.17514 | -3.639426 | other | B12H12N48 | 72 | 2 | 1,133.3 |
mp-1101705 | 10.47855 | 10.173337 | 1.178041 | other | Ta2In6O14 | 22 | 2 | 281.79 |
mp-760325 | 10.570627 | 0.053603 | 0.724508 | other | Li4Mn4F14 | 22 | 2 | 298.86 |
mp-765515 | 8.523136 | 13.072865 | -0.947165 | other | Li1Co15O16 | 32 | 2 | 312.55 |
mp-760157 | 9.051397 | 2.86094 | 0.010778 | other | W7O6F30 | 43 | 2 | 715.84 |
mp-1101014 | -5.185701 | -2.270053 | -3.590901 | other | Tl4Fe6Se8 | 18 | 2 | 429.33 |
mp-1079487 | -1.616198 | 0.758059 | -4.031641 | other | Nb2S4Br4 | 10 | 2 | 260.34 |
mp-1174285 | 7.059078 | 19.587784 | -0.161824 | other | Li8Mn6O14 | 28 | 2 | 258.23 |
mp-685447 | -6.911343 | 1.367602 | -4.107002 | other | Pr10Mo72Se96 | 178 | 2 | 3,809.92 |
mp-1174366 | 4.156349 | 19.40177 | -1.845799 | other | Li7Co5O12 | 24 | 2 | 211.66 |
mp-1246449 | 2.236269 | 2.039654 | 1.356132 | other | Ba6B6N10 | 22 | 2 | 371.09 |
mp-1198774 | 7.827723 | 0.100299 | -4.530894 | other | Si26H156C52 | 234 | 2 | 2,832.43 |
mp-28722 | 1.892759 | 2.795557 | -4.385811 | other | Pt1S2Cl6 | 9 | 2 | 274.04 |
mp-1173360 | 8.308599 | 3.41666 | -1.964675 | other | Os2O4F4 | 10 | 2 | 200.31 |
mp-2224741 | 9.557861 | 8.619276 | -0.052362 | other | Mg1Bi2O4 | 7 | 2 | 126.92 |
mp-531911 | 7.295626 | 11.944051 | 1.984572 | other | La14Mn15O48 | 77 | 2 | 947.94 |
mp-1246110 | 1.531701 | 1.853682 | 1.49783 | other | Ca8Cr2N8 | 18 | 2 | 276.04 |
mp-1100882 | 10.466517 | 9.719846 | 3.347626 | other | Y14Ta6O36 | 56 | 2 | 735.54 |
mp-1174265 | 4.16117 | 19.38546 | -1.847363 | other | Li7Co5O12 | 24 | 2 | 209.77 |
mp-532236 | 9.325445 | 13.897987 | -0.787423 | other | Mn17Fe13O40 | 70 | 2 | 826.8 |
mp-1190729 | 7.8814 | 8.119948 | -3.221445 | other | Ba4Ge4O16 | 24 | 2 | 404.51 |
mp-1194025 | 8.258215 | 6.158755 | -4.360631 | other | Ca2B6O20 | 28 | 2 | 336.2 |
mp-1246857 | 1.877811 | 1.722227 | 1.470314 | other | Sr6Y6N10 | 22 | 2 | 446.83 |
mp-679947 | 5.718584 | 3.358972 | -4.69259 | other | Os8C32O32 | 72 | 2 | 1,213.47 |
mp-1199959 | 9.070612 | 11.150743 | -4.150205 | other | V16Zn2O48 | 66 | 2 | 1,032.64 |
mp-758332 | 9.6203 | 8.429781 | 3.024594 | other | Ca4Gd16O28 | 48 | 2 | 727.47 |
mp-772672 | 11.600646 | 11.488446 | -0.413408 | other | Sm8V8O28 | 44 | 2 | 593.14 |
mp-1238883 | -5.319964 | -0.135761 | -5.751323 | other | Na4Cr8S16 | 28 | 2 | 624.44 |
mp-1785896 | 8.941183 | 1.620563 | -0.700204 | other | Zn1Cr2F12 | 15 | 2 | 182.57 |
mp-1181706 | 11.362652 | 10.828642 | -2.514073 | other | Cu8W4O16 | 28 | 2 | 407.22 |
mp-1194377 | 7.130105 | 6.76918 | -3.550927 | other | Bi2I6O22 | 30 | 2 | 514.88 |
mp-1932798 | 8.958672 | 1.459374 | -0.546763 | other | Ca1Cr2F12 | 15 | 2 | 204.89 |
mp-542135 | 2.019811 | 2.951726 | -4.520266 | other | Mo8N4Cl28 | 40 | 2 | 1,091.66 |
mp-1182619 | 8.192268 | 7.677315 | -4.072155 | other | Ca2U8O34 | 44 | 2 | 798.21 |
mp-685931 | -4.492634 | -2.691143 | -3.277216 | other | Ba20Nb19Se60 | 99 | 2 | 2,712.25 |
mp-774868 | 13.214869 | 6.807281 | -6.568652 | other | Zn4P16O44 | 64 | 2 | 783.89 |
mp-628817 | 11.200499 | 11.201174 | -2.818509 | other | P4W18O62 | 84 | 2 | 1,206.49 |
mp-851093 | 9.741524 | 7.950206 | -6.339322 | other | Ni6P8O28 | 42 | 2 | 509.67 |
mp-1371146 | 7.665827 | 5.323726 | -1.796369 | other | La8Cu3O16 | 27 | 2 | 374.07 |
mp-1045123 | 6.862977 | 13.001564 | -1.477786 | other | Y4Co12O24 | 40 | 2 | 479.63 |
mp-1247782 | -3.650894 | -1.291149 | -5.670724 | other | Ca2Sn12S26 | 40 | 2 | 944.61 |
mp-625320 | 11.564282 | 4.138834 | -3.862533 | other | Al2H6O6 | 14 | 2 | 111.02 |
mp-540946 | 10.021933 | 10.742569 | -3.296642 | other | Li6Re6O24 | 36 | 2 | 514.08 |
mp-756255 | 9.817087 | 12.822428 | -0.255722 | other | Li32V4O24 | 60 | 2 | 509.78 |
mp-1287666 | 8.339555 | 12.656766 | -1.791196 | other | Co4Te1O8 | 13 | 2 | 155.41 |
mp-772396 | 7.773338 | 10.098601 | -3.962229 | other | Li4Cr4O14 | 22 | 2 | 273.62 |
mp-650928 | 10.880007 | 11.741785 | 2.979554 | other | K12Nb28O76 | 116 | 2 | 1,819.2 |
mp-767769 | 9.750309 | 2.143989 | 0.440982 | other | Li2V2F10 | 14 | 2 | 199.56 |
mp-775981 | 10.479356 | 2.37799 | -0.235654 | other | V4O4F12 | 20 | 2 | 271.45 |
mp-766139 | 9.919669 | 2.699183 | 1.933434 | other | Li4V4F14 | 22 | 2 | 296.1 |
mp-1247542 | 1.779568 | 2.068401 | 1.07009 | other | Ba6Bi6N10 | 22 | 2 | 515.53 |
mp-645279 | 6.505455 | 2.424749 | -2.864539 | other | C136O2F40 | 178 | 2 | 1,997.35 |
mp-1211122 | 9.165413 | 2.380867 | 1.599784 | other | Mn3Nb1F6 | 10 | 2 | 331.16 |
mp-581644 | 12.332011 | 6.648541 | 0.26411 | other | Y24Si24O84 | 132 | 2 | 1,617.55 |
mp-1352343 | 8.570559 | 7.858579 | -4.752 | other | Ag8P8O32 | 48 | 2 | 722.58 |
mp-1225201 | 10.759849 | 11.553436 | 3.31681 | other | Gd4Ta12O36 | 52 | 2 | 742.8 |
mp-757698 | 9.160736 | 14.759223 | -0.543468 | other | Mn23Fe1O32 | 56 | 2 | 665.06 |
mp-785425 | 7.413614 | 4.84949 | -1.743122 | other | Y8Ge8O28 | 44 | 2 | 580.73 |
mp-1644867 | 7.043738 | 19.608772 | -0.189496 | other | Li14Mn10O24 | 48 | 2 | 441.48 |
mp-772462 | 5.625426 | 10.919533 | -0.126608 | other | Sr21Fe14O47 | 82 | 2 | 1,047.15 |
mp-1245498 | 1.456476 | 1.811709 | 1.475819 | other | Sr8Ir2N8 | 18 | 2 | 332.91 |
mp-1104601 | 6.264436 | 6.153232 | -4.473114 | other | Co1N2O10 | 13 | 2 | 210.38 |
mp-1203093 | 12.66985 | 6.356193 | -0.705013 | other | Ca7Si16O40 | 63 | 2 | 995.84 |
mp-1182413 | 7.386737 | 7.260978 | -4.30942 | other | Ca2V4O20 | 26 | 2 | 389.36 |
mp-1100524 | 7.133661 | 19.613623 | -0.125614 | other | Li9Mn7O16 | 32 | 2 | 298.84 |
mp-29110 | -6.237083 | -0.918264 | 4.229897 | other | Al4Fe6Si6 | 16 | 2 | 190.84 |
mp-30158 | 11.171954 | 7.669409 | 0.761489 | other | Sr6Ga8O18 | 32 | 2 | 487.25 |
mp-27686 | 12.699706 | 6.19087 | -6.318395 | other | Cd4P4O14 | 22 | 2 | 268.19 |
mp-1172932 | 12.724834 | 11.276397 | -1.484062 | other | Sc1Mo3O8 | 12 | 2 | 149.42 |
mp-1247235 | 11.438805 | 12.972766 | -3.313619 | other | V3Cr1O8 | 12 | 2 | 144.58 |
mp-1246154 | 0.982725 | 2.607443 | 1.823013 | other | Cr6Pb6N10 | 22 | 2 | 343.72 |
mp-694158 | -3.393609 | -1.782712 | -5.122367 | other | Tl8Sn10S24 | 42 | 2 | 1,146.2 |
mp-505402 | 11.4147 | 11.470974 | -2.237704 | other | Cu8W4O16 | 28 | 2 | 373.28 |
mp-1208904 | 6.356865 | 5.665818 | -4.659769 | other | Sm6N8O33 | 47 | 2 | 816.27 |
mp-1381279 | 8.375763 | 2.358429 | -0.882165 | other | Mn1Sb2F12 | 15 | 2 | 236.16 |
mp-1220592 | -4.639511 | -0.974775 | -3.129469 | other | Nb12Pd4Se30 | 46 | 2 | 1,050.76 |
mp-1379435 | 7.75929 | 5.946293 | -1.860202 | other | Li5Ni5O10 | 20 | 2 | 172.28 |
mp-1189193 | 8.190595 | 6.840331 | -4.960827 | other | Zn3P2O12 | 17 | 2 | 233 |
mp-39072 | 6.643781 | 12.51716 | -1.577944 | other | Na3Co4O8 | 15 | 2 | 186.38 |
mp-728687 | 8.068551 | 8.851457 | -3.807386 | other | Yb2Re6O32 | 40 | 2 | 729.09 |
mp-675608 | -5.673635 | -2.522985 | -1.549315 | other | Nb6Cu4Te12 | 22 | 2 | 560.18 |
mp-1374293 | 8.369613 | 5.737485 | -1.610544 | other | V4Cr4O12 | 20 | 2 | 210.96 |
mp-757244 | 9.796 | 8.809746 | 0.355394 | other | Mn4Cd36O40 | 80 | 2 | 1,077.22 |
mp-1643677 | 12.61409 | 7.291137 | -1.732376 | other | Mn10Si8O28 | 46 | 2 | 615.39 |
mp-17166 | 13.736134 | 4.092686 | -2.282325 | other | K8B16O28 | 52 | 2 | 619.67 |
mp-505260 | -5.361959 | -1.998742 | -2.298715 | other | Te20Mo6I20 | 46 | 2 | 1,943.41 |
mp-1201589 | 9.122139 | 6.913934 | -3.375306 | other | Fe6Se6O20 | 32 | 2 | 483.79 |
mp-28633 | 1.912938 | 2.713782 | -4.500669 | other | Re1Te2Cl12 | 15 | 2 | 434.32 |
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