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-775843 | 1.874807 | 1.760021 | 2.832969 | other | Zr16N16O8 | 40 | 1 | 522.75 |
mp-1224773 | 10.645647 | 7.33765 | -3.636314 | other | K6As8O19 | 33 | 1 | 704.26 |
mp-729608 | 7.35269 | 5.957572 | -1.394559 | other | Na16Cd8O16 | 40 | 1 | 640.18 |
mp-685968 | -3.139473 | -1.362082 | -5.086242 | other | Ba6Nb5S17 | 28 | 1 | 713.21 |
mp-777167 | 12.762832 | 11.344299 | 1.424348 | other | Li16Ti16O32 | 64 | 1 | 632.32 |
mp-1225371 | -6.613316 | -0.588884 | 2.131001 | other | Fe20Ni16P12 | 48 | 1 | 527.39 |
mp-758044 | 12.527618 | 11.884677 | 1.734992 | other | Li5Ti8O16 | 29 | 1 | 288.38 |
mp-675980 | -2.678392 | -0.263315 | -5.244541 | other | Cr4P12S36 | 52 | 1 | 1,636.93 |
mp-755656 | 10.315115 | 0.163776 | 0.487046 | other | Li9Mn3F18 | 30 | 1 | 316.52 |
mp-1173441 | -2.503626 | 0.683603 | -3.74877 | other | Re12Se8Br20 | 40 | 1 | 1,262.67 |
mp-867624 | 6.129952 | 13.7973 | -2.04442 | other | Li4Co5O12 | 21 | 1 | 202.69 |
mp-2214898 | 13.629515 | 12.269085 | -3.2821 | other | V4O5F7 | 16 | 1 | 214.7 |
mp-1275559 | 12.759125 | 13.183822 | -0.805976 | other | Li6V8O16 | 30 | 1 | 306.69 |
mp-676893 | 8.592312 | 1.181305 | 1.785005 | other | Ca4Th1F12 | 17 | 1 | 230.44 |
mp-1643959 | 6.723834 | 13.114569 | -2.312704 | other | Nb2Co6O16 | 24 | 1 | 266.06 |
mp-675846 | 8.595307 | 1.181602 | 1.819019 | other | Ca5Th1F14 | 20 | 1 | 268.32 |
mp-1041272 | 12.990268 | 10.737 | -0.081296 | other | Zn6Mo12O24 | 42 | 1 | 543.09 |
mp-776473 | 10.560839 | 2.336942 | -0.3292 | other | V4O4F12 | 20 | 1 | 288.99 |
mp-754690 | 12.820206 | -1.163623 | 0.760377 | other | Mn6O5F7 | 18 | 1 | 214.44 |
mp-626528 | 11.276015 | 11.791721 | 1.838857 | other | Nb4H4O12 | 20 | 1 | 240.28 |
mp-760020 | 9.906055 | 12.479177 | -4.178051 | other | V12Pb1O30 | 43 | 1 | 565.91 |
mp-759094 | 8.527885 | 10.30261 | 2.187142 | other | La24Ni12O49 | 85 | 1 | 1,159 |
mp-1192421 | 13.339202 | 4.845243 | -2.193462 | other | B6Pb6O15 | 27 | 1 | 363.96 |
mp-756001 | 5.896785 | 12.391417 | -2.447891 | other | Fe6O8F4 | 18 | 1 | 201.48 |
mp-1173176 | 7.449179 | 5.794216 | -3.451804 | other | Te6As12O24 | 42 | 1 | 915.84 |
mp-863413 | 12.516802 | 11.726118 | 0.432577 | other | Sc7V9O24 | 40 | 1 | 442.31 |
mp-755080 | 12.801396 | -0.183018 | 0.041604 | other | Mn6O7F5 | 18 | 1 | 203.12 |
mp-699378 | 8.852345 | 13.186434 | -1.197002 | other | Fe20Ni10O40 | 70 | 1 | 758.43 |
mp-758530 | 7.604601 | 12.389863 | -1.126421 | other | Li15Cr2O12 | 29 | 1 | 250.45 |
mp-690537 | 9.541656 | 8.79414 | -0.660428 | other | Co2Bi11O20 | 33 | 1 | 533.27 |
mp-1360261 | 7.642949 | 4.676938 | -1.780648 | other | Hf16N16O8 | 40 | 1 | 512.52 |
mp-34457 | 1.531924 | 2.461212 | -5.456346 | other | Li12Co6Cl24 | 42 | 1 | 826.13 |
mp-854023 | 7.597309 | 4.993324 | -1.8095 | other | Ti16N16O8 | 40 | 1 | 428.1 |
mp-1273488 | 8.914016 | 14.851158 | -0.402964 | other | Mg4Mn8O16 | 28 | 1 | 313.91 |
mp-685952 | -4.617921 | -2.778248 | -4.082782 | other | Al8Hg20Se32 | 60 | 1 | 1,723.3 |
mp-766580 | -7.543458 | -0.833678 | 2.990973 | other | Cr11Ni40Mo9 | 60 | 1 | 693.97 |
mp-1219579 | 3.158875 | 2.847662 | -4.142678 | other | Sb4Cl13F7 | 24 | 1 | 651.96 |
mp-1228327 | 0.047005 | 1.041996 | -3.930479 | other | Ba12Br16Cl8 | 36 | 1 | 1,185.68 |
mp-1377379 | 9.917465 | 13.57148 | -0.220654 | other | Mn4Zn4O8 | 16 | 1 | 200.94 |
mp-761005 | 12.221077 | -0.910864 | 0.896864 | other | Mn12O7F17 | 36 | 1 | 443.47 |
mp-685375 | 7.60677 | 11.863118 | 2.144325 | other | La19Mn19O60 | 98 | 1 | 1,216.23 |
mp-676591 | 10.565052 | 12.072877 | 2.482377 | other | Li11Nb12O36 | 59 | 1 | 675.02 |
mp-1356724 | 7.626297 | 4.696482 | -1.760659 | other | Zr16N16O8 | 40 | 1 | 538.61 |
mp-755878 | 9.423874 | 0.764278 | -0.543561 | other | Cu6O1F11 | 18 | 1 | 199.05 |
mp-674338 | -4.549904 | -2.307028 | -3.345158 | other | K16Zr12Se61 | 89 | 1 | 2,696.14 |
mp-559753 | 10.763871 | 10.772696 | -3.806604 | other | K12Mo20O66 | 98 | 1 | 1,607.26 |
mp-625230 | 11.179734 | 4.169634 | -4.042475 | other | Zn6H12O12 | 30 | 1 | 321.87 |
mp-760891 | 9.41732 | 0.885483 | -0.657293 | other | Cu6O2F10 | 18 | 1 | 203.66 |
mp-1102846 | 9.783472 | 5.830828 | -4.209658 | other | H4Se2O6 | 12 | 1 | 133.05 |
mp-1180134 | 6.257162 | 5.79012 | -3.849087 | other | Ni3Cl6O12 | 21 | 1 | 531.81 |
mp-530925 | -5.511659 | -0.75782 | -4.084136 | other | Fe12Ni18S40 | 70 | 1 | 1,033.73 |
mp-1233617 | 11.66007 | 12.363524 | 1.940837 | other | Mg1Ti8O16 | 25 | 1 | 275.32 |
mp-1266390 | 12.787584 | 10.823982 | -0.328448 | other | Al4W4O14 | 22 | 1 | 261.71 |
mp-778698 | 11.727768 | 7.946339 | 0.014491 | other | Ga12N4O12 | 28 | 1 | 376.94 |
mp-760859 | 10.523381 | 2.248435 | -0.201599 | other | V6O5F19 | 30 | 1 | 436.97 |
mp-753102 | 9.624622 | 8.566638 | 0.153555 | other | La2Bi4O9 | 15 | 1 | 260.15 |
mp-662702 | 7.207073 | 7.326371 | -3.624513 | other | Na2I2O8 | 12 | 1 | 187.62 |
mp-758739 | 12.054029 | 13.497153 | -1.102484 | other | Li10V10O24 | 44 | 1 | 435.94 |
mp-752458 | 10.024694 | 8.418925 | 3.174843 | other | Dy6Y10O24 | 40 | 1 | 595.83 |
mp-626305 | 10.242844 | 6.069488 | -4.367161 | other | Fe16H16O32 | 64 | 1 | 759.96 |
mp-696076 | -3.61652 | -1.63659 | -5.905791 | other | Sr8Al16S32 | 56 | 1 | 1,338.83 |
mp-1101221 | 13.582007 | 12.286953 | -3.349425 | other | V4O5F7 | 16 | 1 | 210.82 |
mp-760256 | 11.946648 | 10.591756 | 0.72972 | other | Ba10V10O25 | 45 | 1 | 671.3 |
mp-777360 | 12.35583 | 13.287513 | -1.532562 | other | Li13V24O52 | 89 | 1 | 986.13 |
mp-531722 | 10.410768 | 11.934039 | 2.453807 | other | Li10Nb12O36 | 58 | 1 | 674.29 |
mp-1178342 | 13.367134 | 0.425083 | 1.207065 | other | Fe10O9F11 | 30 | 1 | 352.73 |
mp-1372062 | 7.850331 | 3.712495 | -0.996673 | other | Cs2U4F18 | 24 | 1 | 419.29 |
mp-686377 | -2.92966 | -2.637996 | -5.70074 | other | Lu20Fe10S40 | 70 | 1 | 1,558.33 |
mp-654033 | 8.249705 | 9.860062 | 2.081964 | other | La12Cu12O30 | 54 | 1 | 706.51 |
mp-756368 | 10.427166 | 10.898141 | -3.006049 | other | Te1W3O12 | 16 | 1 | 201.38 |
mp-690546 | 9.859595 | 13.079988 | 0.004615 | other | Ti6Ni6O18 | 30 | 1 | 300.54 |
mp-850934 | 5.119668 | 11.114488 | -2.311721 | other | Fe6O11F1 | 18 | 1 | 192.01 |
mp-781597 | 11.797298 | -0.543775 | 1.166914 | other | Mn12O5F19 | 36 | 1 | 452.38 |
mp-936636 | -5.918364 | -3.824913 | -1.377201 | other | Yb3Bi14Te24 | 41 | 1 | 1,372.08 |
mp-863944 | 11.625346 | 11.195745 | 0.667036 | other | Ba10V10O28 | 48 | 1 | 695.75 |
mp-1095055 | 8.160818 | 2.569199 | -1.162773 | other | Fe1N3F6 | 10 | 1 | 178.17 |
mp-1179176 | 10.82146 | 6.102355 | -4.664646 | other | V6H12O20 | 38 | 1 | 482.53 |
mp-753199 | 9.701052 | 0.430331 | -0.155727 | other | Li3Cu2F8 | 13 | 1 | 151.24 |
mp-1223490 | 4.191339 | 2.378278 | -2.993023 | other | K4C4N4 | 12 | 1 | 286.26 |
mp-1378393 | 5.943835 | 11.171513 | -1.521313 | other | Pr2Ni4O12 | 18 | 1 | 220.6 |
mp-686019 | 10.253053 | 10.823589 | 3.25372 | other | Y8Ti8O28 | 44 | 1 | 581.37 |
mp-780466 | 10.108382 | 1.14289 | 0.296724 | other | Cr8O2F22 | 32 | 1 | 398.66 |
mp-1227102 | -6.044351 | -0.148065 | 3.409976 | other | Cr46B3C9 | 58 | 1 | 594.48 |
mp-625909 | 8.391974 | 5.091908 | -3.738066 | other | Ba2H8O12 | 22 | 1 | 248.6 |
mp-626799 | 10.149145 | 5.3133 | -4.150509 | other | Re2H6O10 | 18 | 1 | 207.75 |
mp-777369 | 12.819561 | -1.20015 | 0.839158 | other | Mn6O5F7 | 18 | 1 | 213.94 |
mp-776474 | 10.56903 | 2.327396 | -0.334206 | other | V4O4F12 | 20 | 1 | 299.22 |
mp-850976 | 12.69692 | -0.076289 | -0.069155 | other | Mn12O14F10 | 36 | 1 | 397.96 |
mp-1216912 | -4.777887 | 0.276779 | -4.577808 | other | Tl1V12S16 | 29 | 1 | 524.3 |
mp-1226568 | -8.846845 | -1.135847 | 3.877931 | other | Cr3B12Rh25 | 40 | 1 | 471.13 |
mp-1224505 | -3.575263 | -4.737938 | 0.728411 | other | K12In2P6 | 20 | 1 | 655.79 |
mp-1223069 | -4.083986 | -4.021401 | -3.710993 | other | La4Se7S1 | 12 | 1 | 310.86 |
mp-1179558 | 4.483892 | 3.27505 | -3.998846 | other | Sb1S4N3 | 8 | 1 | 213.01 |
mp-756060 | 11.38902 | 2.949908 | 1.320994 | other | V6O3F15 | 24 | 1 | 298.63 |
mp-1225290 | -6.820281 | 1.341159 | -4.126122 | other | Fe1Mo6Se8 | 15 | 1 | 321.4 |
mp-780232 | 1.683763 | 1.806208 | 2.935111 | other | Hf16N16O8 | 40 | 1 | 502.54 |
mp-1222102 | -6.292208 | -0.444077 | 2.82405 | other | Mn12Si1P3 | 16 | 1 | 180.72 |
mp-753107 | 12.82206 | -1.172342 | 0.780921 | other | Mn6O5F7 | 18 | 1 | 213.74 |
mp-675119 | 8.294368 | 2.879052 | -1.194664 | other | Os8O16F16 | 40 | 1 | 697.11 |
mp-753334 | 10.800403 | 12.538385 | -4.547299 | other | V4O7F5 | 16 | 1 | 197.11 |
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