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-1202105 | -3.289715 | -1.249733 | -5.28463 | other | K12As4S16 | 32 | 33 | 953.14 |
mp-777471 | 10.414606 | 1.638292 | 2.141991 | other | Li8Fe4F16 | 28 | 33 | 314.13 |
mp-1195434 | 8.900268 | 8.819569 | -2.81928 | other | Ca8Te8O32 | 48 | 33 | 838.19 |
mp-729020 | 7.341985 | 6.507033 | -3.665952 | other | S8I24O80 | 112 | 33 | 1,917.9 |
mp-1211465 | 9.804775 | 0.517653 | -0.372364 | other | Li12Ni4F24 | 40 | 33 | 385.67 |
mp-557311 | 10.794396 | 7.785276 | 1.000521 | other | Sr16Ge8O32 | 56 | 33 | 833.36 |
mp-1182541 | -2.642199 | 1.593008 | 2.514916 | other | B96N16O4 | 116 | 33 | 884.66 |
mp-20205 | 7.245663 | 9.906857 | -0.575362 | other | Yb8Cu8O20 | 36 | 33 | 460.31 |
mp-996948 | 11.080057 | 11.728532 | -0.219281 | other | Ca8Cr16O32 | 56 | 33 | 746.84 |
mp-28471 | -3.588039 | -1.248019 | -5.541374 | other | Li12As4S12 | 28 | 33 | 524.72 |
mp-779165 | 10.444476 | 0.094799 | 0.362859 | other | Li8Mn4F20 | 32 | 33 | 384.55 |
mp-1245441 | 0.391953 | 2.404137 | 2.001956 | other | Mn4Cr4N8 | 16 | 33 | 154.89 |
mp-625175 | 7.927678 | 5.112508 | -3.817883 | other | H12Cl4O20 | 36 | 33 | 412.99 |
mp-770780 | 10.045794 | 8.182752 | -6.787589 | other | Mn8P16O56 | 80 | 33 | 967.5 |
mp-689940 | 9.398764 | 7.867745 | -6.088819 | other | Co4P4O16 | 24 | 33 | 349.02 |
mp-1197260 | 8.274497 | 2.336504 | -0.837526 | other | H4Xe8F60 | 72 | 33 | 1,139.2 |
mp-754092 | 12.150609 | 9.925977 | 2.337333 | other | Sc4Ti4O12 | 20 | 33 | 214.55 |
mp-9212 | 12.444964 | 7.152261 | 0.617598 | other | Na4Al4O8 | 16 | 33 | 195.43 |
mp-1246419 | 0.415788 | 2.255694 | 2.069213 | other | Mn4V4N8 | 16 | 33 | 170.56 |
mp-729083 | 11.887752 | 5.532819 | -2.688672 | other | Ca4B12O24 | 40 | 33 | 430.31 |
mp-1246612 | 1.194738 | 2.240853 | 2.072581 | other | Cr4Ga4N8 | 16 | 33 | 188.03 |
mp-34591 | 10.094316 | 12.962877 | 0.77961 | other | Nb4Fe4O16 | 24 | 33 | 275.06 |
mp-556892 | 10.047458 | 8.80467 | -0.296137 | other | In4Bi4O12 | 20 | 33 | 291.07 |
mp-780395 | 13.700023 | 4.291181 | -2.382397 | other | Cd12B24O48 | 84 | 33 | 834.03 |
mp-626259 | 7.95608 | 4.169811 | -4.489777 | other | H12N4O16 | 32 | 33 | 294.05 |
mp-1199105 | 8.367376 | 9.450256 | -3.743313 | other | Gd4Re12O60 | 76 | 33 | 1,512.81 |
mp-15335 | 8.477694 | 9.88224 | 1.8683 | other | Lu8Cu8O20 | 36 | 33 | 455.17 |
mp-1204243 | 9.732097 | 9.522304 | -1.855297 | other | Rb16Te32O92 | 140 | 33 | 2,242.04 |
mp-1195796 | 10.337005 | 9.299678 | -2.323576 | other | Te8H8O24 | 40 | 33 | 460.97 |
mp-28558 | -0.361479 | 1.205128 | -4.619127 | other | Rb4Ge4Br12 | 20 | 33 | 712.82 |
mp-7913 | 2.838604 | 2.384778 | 1.720906 | other | Be4Si4N8 | 16 | 33 | 133.77 |
mp-644097 | 3.430451 | -0.769877 | -2.492564 | other | Ba4Al4H20 | 28 | 33 | 332.59 |
mp-1194339 | -3.667978 | -1.332816 | -5.506695 | other | Li12Sb4S12 | 28 | 33 | 546.06 |
mp-1181430 | 8.368347 | 4.235545 | -4.503546 | other | H16N8O12 | 36 | 33 | 455.58 |
mp-1181417 | 8.339414 | 4.272073 | -4.479838 | other | H16N8O12 | 36 | 33 | 467.55 |
mp-1246720 | 0.681352 | 2.310953 | 2.011084 | other | V4Zn4N8 | 16 | 33 | 188.81 |
mp-1196014 | 7.909793 | 8.253379 | -2.860334 | other | Ba4Al8O24 | 36 | 33 | 598.04 |
mp-1194520 | -3.630337 | -1.523551 | -5.558931 | other | Rb16Al8S20 | 44 | 33 | 1,323.46 |
mp-1246170 | 1.468911 | 2.241846 | 2.034881 | other | Al4Cr4N8 | 16 | 33 | 176.96 |
mp-1103194 | -3.307386 | -1.194441 | -5.144255 | other | Sb4S4Br4 | 12 | 33 | 360.26 |
mp-1181348 | 8.802298 | 3.300447 | -5.317258 | other | H8C4O8 | 20 | 33 | 234.7 |
mp-758643 | 8.296412 | 4.158854 | -6.918985 | other | V4C8O24 | 36 | 33 | 501.27 |
mp-571242 | 1.436403 | 2.704226 | -5.90278 | other | Rb8Co4Cl16 | 28 | 33 | 896.19 |
mp-1106183 | -3.955085 | -1.480163 | -6.12077 | other | Li4Al4S8 | 16 | 33 | 316.62 |
mp-619032 | 4.661607 | 2.00718 | -2.602506 | other | Pb4C4N8 | 16 | 33 | 264.77 |
mp-1246075 | 2.383053 | 2.04656 | 1.927426 | other | Sc4Al4N8 | 16 | 33 | 197.64 |
mp-26388 | 8.963929 | 7.858968 | -5.543747 | other | Ni4P4O16 | 24 | 33 | 343.43 |
mp-626879 | 10.651364 | 8.898043 | -4.997764 | other | V12H8O32 | 52 | 33 | 609.12 |
mp-21160 | 8.583014 | 9.734545 | 1.899074 | other | Er8Cu8O20 | 36 | 33 | 472.46 |
mp-555525 | 7.870221 | 10.51172 | 1.81178 | other | Sm24Ru8O56 | 88 | 33 | 1,177.76 |
mp-39933 | 10.2805 | 12.866302 | 0.985158 | other | Ta4Fe4O16 | 24 | 33 | 272.12 |
mp-1245716 | 0.75884 | 2.200185 | 1.999964 | other | Mg4Re4N8 | 16 | 33 | 206.51 |
mp-1246133 | 0.943808 | 2.432855 | 1.933167 | other | Mg4Cr4N8 | 16 | 33 | 187.04 |
mp-1246231 | 1.773566 | 2.288756 | 1.935466 | other | Co4Ge4N8 | 16 | 33 | 182.58 |
mp-540689 | -3.185207 | -1.806484 | -5.437529 | other | Ba16Sn8S32 | 56 | 33 | 1,708.41 |
mp-759234 | 9.876273 | 0.450376 | -0.160466 | other | Li12Cu4F24 | 40 | 33 | 384.21 |
mp-1245539 | 0.846057 | 2.41442 | 1.874902 | other | V4Cu4N8 | 16 | 33 | 178 |
mp-1245777 | 2.605894 | 2.297989 | 1.541483 | other | Si4Pb4N8 | 16 | 33 | 221.71 |
mp-1247425 | 0.937763 | 2.585307 | 1.604187 | other | Fe4Sn4N8 | 16 | 33 | 215.63 |
mp-625686 | 8.418912 | 4.454544 | -4.362902 | other | H16N8O12 | 36 | 33 | 320.95 |
mp-540111 | 10.992295 | 7.843056 | -6.930034 | other | Fe4P4O16 | 24 | 33 | 377.39 |
mp-557833 | -3.991749 | -1.130827 | -5.540737 | other | Ti4Ag32S24 | 60 | 33 | 1,248.11 |
mp-674993 | 1.391554 | 2.330031 | -5.38589 | other | K4Pb8Cl20 | 32 | 33 | 894.98 |
mp-825406 | 10.655409 | 12.253777 | -3.902237 | other | Th8V16O56 | 80 | 33 | 1,227.4 |
mp-1245962 | 2.323491 | 2.547529 | 1.655668 | other | Si4Ni4N8 | 16 | 33 | 162.08 |
mp-778700 | 10.356206 | 1.596291 | 2.091177 | other | Li16Fe8F32 | 56 | 33 | 645.83 |
mp-15336 | 9.098328 | 10.408335 | 2.033674 | other | Sc8Cu8O20 | 36 | 33 | 415.79 |
mp-1245489 | 0.591732 | 2.462953 | 1.792653 | other | Mn4Pt4N8 | 16 | 33 | 177.19 |
mp-1095595 | -1.265814 | 1.908006 | -3.528123 | other | Sb4S4I4 | 12 | 33 | 405.78 |
mp-1246264 | 1.862655 | 2.430519 | 1.096306 | other | Zn4Pb4N8 | 16 | 33 | 242.44 |
mp-1201741 | 8.192456 | 9.341364 | -3.805566 | other | Dy4Re12O64 | 80 | 33 | 1,446.91 |
mp-1245698 | 0.80997 | 2.48145 | 1.919102 | other | Zn4Cr4N8 | 16 | 33 | 184.98 |
mp-22530 | 7.267546 | 8.468761 | -0.846137 | other | La4Yb4O12 | 20 | 33 | 307.56 |
mp-1194753 | 13.683772 | 4.350742 | -2.498753 | other | Ag4B12O20 | 36 | 33 | 333.29 |
mp-1208537 | 8.522273 | 9.680647 | 1.881866 | other | Tb8Cu8O20 | 36 | 33 | 487.76 |
mp-772624 | 12.139514 | 8.920446 | 1.90033 | other | Al8C4O4 | 16 | 33 | 182.39 |
mp-1246911 | 0.990083 | 2.557184 | 1.619296 | other | Mn4Pb4N8 | 16 | 33 | 237.52 |
mp-20310 | -4.811942 | -2.953389 | -3.988375 | other | Li4In4Se8 | 16 | 33 | 421.89 |
mp-1247106 | 0.912 | 2.52789 | 1.664019 | other | Mn4Sn4N8 | 16 | 33 | 221.95 |
mp-1188392 | -3.789506 | -1.424905 | -5.848459 | original | Li4In4S8 | 16 | 33 | 365.52 |
mp-1192860 | 8.574625 | 0.689009 | 1.45067 | other | Rb8Be4F16 | 28 | 33 | 488.8 |
mp-651900 | -3.570425 | -4.053066 | 0.683025 | other | Ce8Si8P24 | 40 | 33 | 816.47 |
mp-1224635 | 8.489403 | 7.826021 | -2.338488 | other | Gd4Si4O16 | 24 | 33 | 301.59 |
mp-1182305 | 8.684947 | 7.337749 | -3.499839 | other | Ba4Al8O24 | 36 | 33 | 607.05 |
mp-759464 | 10.212186 | 2.069436 | 1.731792 | other | Li12V4F24 | 40 | 33 | 397.23 |
mp-1200889 | 10.443145 | 10.403235 | 1.609062 | other | Ti8Bi8O28 | 44 | 33 | 567.49 |
mp-1191076 | 1.689997 | 2.379554 | -5.254016 | other | Al4Cu4Cl16 | 24 | 33 | 600.22 |
mp-1246031 | 0.789789 | 2.369434 | 1.9121 | other | Mg4Os4N8 | 16 | 33 | 201.76 |
mp-649086 | 8.467277 | 13.506907 | -0.929188 | other | Ga8Fe8O24 | 40 | 33 | 436.72 |
mp-15590 | 10.462324 | 10.959307 | 3.268437 | other | Sr16Nb16O56 | 88 | 33 | 1,265.65 |
mp-554621 | 9.172579 | 0.451161 | 0.7557 | other | K32Fe16F80 | 128 | 33 | 2,051.23 |
mp-28398 | 9.530528 | 0.395685 | 0.404248 | other | Na20Mn12F56 | 88 | 33 | 1,173.52 |
mp-1197485 | 10.695228 | 10.946341 | -2.273026 | other | Bi8W8O36 | 52 | 33 | 730.23 |
mp-1268195 | -4.840381 | -2.698407 | -4.108655 | other | In4Ag4Se8 | 16 | 33 | 468.19 |
mp-760133 | 9.317798 | 0.597748 | 0.575082 | other | Li24Ag12F40 | 76 | 33 | 1,014.36 |
mp-1204449 | -1.225375 | 3.007423 | -2.890434 | other | Cs24Zn12I48 | 84 | 33 | 4,272.28 |
mp-17885 | -5.803547 | -3.638371 | -1.752549 | other | Ba8Ge8Te20 | 36 | 33 | 1,281.28 |
mp-753756 | 11.249904 | 7.851943 | -7.079526 | other | Fe4P4O16 | 24 | 33 | 419.23 |
mp-1192489 | -0.385015 | 1.317886 | -4.664489 | other | Rb8Zn4Br16 | 28 | 33 | 999.49 |
mp-772187 | 12.287268 | 7.773317 | 0.297304 | other | Al8Ga8O24 | 40 | 33 | 394.63 |
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