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-1236334 | 10.115591 | 1.695791 | -1.396662 | other | Li1Al2H4Pb2O4F6 | 19 | 2 | 241.97 |
mp-1196668 | 8.450316 | 1.035999 | -4.352536 | other | Ce2P8H100C24Cl6O22 | 162 | 2 | 1,768.69 |
mp-818718 | 6.965842 | 4.211885 | -2.031895 | other | Ni1H44C12N8Cl2O10 | 77 | 2 | 706.9 |
mp-746343 | 8.748317 | 1.547457 | -4.390651 | other | Ni1H44C12N8Cl2O10 | 77 | 2 | 706.9 |
mp-1181719 | 8.198532 | 5.644862 | -4.321732 | other | Na2Zn8H12S2Cl2O32 | 58 | 2 | 772.77 |
mp-1325679 | 9.309913 | 4.220753 | -4.059153 | other | Pu2Co2H48C8N12O26 | 98 | 2 | 930.48 |
mp-24657 | 11.696202 | 4.352572 | -5.23633 | other | Zn2B2P4H8N2O16 | 34 | 2 | 365.51 |
mp-1200272 | 7.858545 | 0.167372 | -4.455191 | other | Li2Yb2Si12H108C36N6 | 166 | 2 | 1,897.93 |
mp-1238618 | 8.439298 | 1.892371 | -4.39011 | other | Si1H14C4S2N8F6 | 35 | 2 | 362.68 |
mp-1199099 | 9.606442 | 2.295222 | -4.551541 | other | Cu3P4H24C6N2O16 | 55 | 2 | 548.17 |
mp-734098 | 12.421716 | 6.678289 | -0.860857 | other | Ca4Al4Fe2Si8B2O32 | 52 | 2 | 581.83 |
mp-1205285 | 8.574976 | 2.140355 | -4.252501 | other | H24C4I4N12O8F8 | 60 | 2 | 802.18 |
mp-1204914 | 8.666804 | 1.588681 | -4.587436 | other | V12Sb2H70C24Cl16O38 | 162 | 2 | 2,184.46 |
mp-651173 | 4.496106 | 2.382012 | -3.246393 | other | K6W2C8N8O2F2 | 28 | 2 | 569.71 |
mp-23808 | 13.138039 | 5.183181 | -6.010972 | other | K2Sc2B2P4H2O18 | 30 | 2 | 373.44 |
mp-1667394 | 9.554513 | 3.521692 | -8.612401 | other | Na4Li8Mn4P4C4O28 | 52 | 2 | 602.12 |
mp-772293 | 9.64893 | 3.720958 | -8.336013 | other | Na2Li10Fe4P4C4O28 | 52 | 2 | 565.43 |
mp-1210852 | 8.40806 | 2.603399 | -4.931124 | other | Na2Ni1H20C12N12O18 | 65 | 2 | 681.25 |
mp-1202299 | 12.389173 | 7.23203 | -1.659875 | other | Na2Mg5Mn11Si12As2O50 | 82 | 2 | 981.37 |
mp-1197686 | 10.927838 | 3.564079 | -4.43306 | other | Ga2Ge4H10C2N2O12 | 32 | 2 | 358.34 |
mp-1105350 | 8.256338 | 1.941785 | -4.16532 | other | H6C2S2N2O2F4 | 18 | 2 | 305.3 |
mp-696290 | 7.241003 | 1.989406 | -4.140757 | other | Cu1H8C4N8Cl2O2 | 25 | 2 | 307.61 |
mp-1195048 | 13.53058 | 7.161829 | -0.922907 | other | Na2Ca2Mn6Si10H2O30 | 52 | 2 | 605 |
mp-772483 | 9.70085 | 3.577372 | -8.549734 | other | Na10Li2Mn4P4C4O28 | 52 | 2 | 630.65 |
mp-766416 | 9.61495 | 3.858196 | -5.716916 | other | K4U2H12C4S2O26 | 50 | 2 | 664.32 |
mp-760043 | 11.658502 | 7.987144 | -7.23568 | other | Li2V2Fe2P4H4O20 | 34 | 2 | 360.35 |
mp-706670 | 10.476731 | 3.829592 | -4.332701 | other | Al1Cu1H28S2Cl1O22 | 55 | 2 | 524.07 |
mp-738697 | 10.256896 | 2.681365 | -4.523727 | other | Al6P8H36C6N6O32 | 94 | 2 | 1,068.59 |
mp-697108 | 4.334294 | 2.335422 | -3.346816 | other | K6H2Rh2C10N10O2 | 32 | 2 | 561.79 |
mp-734296 | 4.580033 | 3.416533 | -3.433996 | other | K5Au5C10I2N10O2 | 34 | 2 | 807.66 |
mp-1200614 | 8.668403 | 2.08793 | -4.619677 | other | P2H18C4S2N8O8 | 42 | 2 | 455.06 |
mp-699459 | 10.021829 | 3.527216 | -5.168476 | other | Cs2Li2H8S4N4O12 | 32 | 2 | 421.81 |
mp-766016 | 13.287987 | 8.654078 | -7.687191 | other | Li2V2Cr2P4O16F4 | 30 | 2 | 353.65 |
mp-776451 | 13.255822 | 7.814564 | -7.253613 | other | Li6Mn3V3P6H6O30 | 54 | 2 | 547.87 |
mp-1233357 | 10.220924 | 1.721277 | -1.288592 | other | Ca1Al2H4Pb2O4F6 | 19 | 2 | 259.99 |
mp-1204596 | 10.039027 | 2.771201 | -4.619168 | other | Ba2P6H20C6N2O18 | 54 | 2 | 573.73 |
mp-1204531 | 9.890162 | 3.059905 | -4.469852 | other | H46Ru2S4N10Cl2O24 | 88 | 2 | 861.75 |
mp-759948 | 14.235956 | 7.822361 | -6.56373 | other | Li4V2Cr2P4H4O20 | 36 | 2 | 362.84 |
mp-727393 | 13.11851 | 6.696021 | -0.689626 | other | Ca4Mn2Al4Si8B2O30 | 50 | 2 | 582.25 |
mp-1228198 | 11.962432 | 5.761007 | -4.599025 | other | Ca4Mg1Zn1As4H8O20 | 38 | 2 | 415.37 |
mp-1203047 | 8.729905 | 2.679468 | -4.810481 | other | U2H12C4Se2N6O14 | 40 | 2 | 509.16 |
mp-1200245 | 8.570606 | 3.585978 | -3.872581 | other | Hg2H8C4S4O16F12 | 46 | 2 | 646.22 |
mp-1173088 | 12.585017 | 6.544498 | -0.702327 | other | Ca10Ta1Ti8Al1Si10O50 | 80 | 2 | 953 |
mp-1195156 | 8.472453 | 1.835287 | -4.631408 | other | Rb4Nb6H22C10Cl12O16 | 70 | 2 | 1,110.52 |
mp-756057 | 13.627678 | 8.559517 | -7.564075 | other | Li4V2Fe2P4O16F4 | 32 | 2 | 364.99 |
mp-759828 | 11.599676 | 7.983654 | -7.466963 | other | Li2Mn2V2P4H4O20 | 34 | 2 | 358.82 |
mp-721172 | 12.066219 | 5.441609 | -2.734427 | other | Ca4Mn2Fe2Si8H10O30 | 56 | 2 | 681.02 |
mp-720217 | 13.294633 | 7.031404 | -0.905792 | other | K3Ca2Mg10Si16H4O48 | 83 | 2 | 913.17 |
mp-1202358 | 12.306809 | 5.914023 | -6.323735 | other | Sr2Fe2B2P4H4O20 | 34 | 2 | 367.28 |
mp-1204310 | 8.253777 | 0.989212 | -4.425545 | other | Ti2H60C20S10Cl4O12 | 108 | 2 | 1,280.23 |
mp-1182914 | 8.49022 | 1.183769 | -4.289905 | other | Al2H28C8N2O2F8 | 50 | 2 | 595.3 |
mp-1193229 | 7.848429 | 1.359341 | -4.446954 | other | Mn1H12C8S2N2O2 | 27 | 2 | 380.51 |
mp-1217511 | 8.554722 | 4.851731 | -4.782294 | other | V4Co1H12C2N6O20 | 45 | 2 | 581.68 |
mp-707443 | 8.866626 | 3.507378 | -6.885463 | other | Na7Al1H2C4O12F4 | 30 | 2 | 341.54 |
mp-759502 | 12.749824 | 7.790888 | -7.12924 | other | Li2V2Cr2P4H4O20 | 34 | 2 | 355.33 |
mp-2240896 | 13.856927 | 8.687007 | -7.258331 | other | Mg1V1Fe1P2O8F2 | 15 | 2 | 182.49 |
mp-766429 | 9.098511 | 2.064703 | -4.252888 | other | Si1H18C2N8O2F6 | 37 | 2 | 342.06 |
mp-708015 | 8.427085 | 2.620214 | -4.957507 | other | Na2Cu1H20C12N12O18 | 65 | 2 | 638.94 |
mp-1181015 | 6.024638 | 3.690627 | -3.939271 | other | Mo6C14Br6N2Cl6O14 | 48 | 2 | 1,291.08 |
mp-759005 | 14.23079 | 7.822732 | -6.57018 | other | Li6V3Cr3P6H6O30 | 54 | 2 | 544.54 |
mp-555250 | 8.393138 | 1.933198 | -4.440291 | other | Ag2H18C14S4O8F8 | 54 | 2 | 647.2 |
mp-567268 | 8.684595 | 2.564172 | -4.405059 | other | Gd2H16C20N2O16F24 | 80 | 2 | 982.13 |
mp-1196382 | 8.574137 | 1.592263 | -4.389843 | other | Ni1H44C12N8Cl2O10 | 77 | 2 | 873.65 |
mp-1201200 | 9.517169 | 2.787158 | -4.674347 | other | Mn1H20C2S2N6O12 | 43 | 2 | 396.63 |
mp-1177762 | 13.613841 | 8.550718 | -7.580164 | other | Li4V2Fe2P4O16F4 | 32 | 2 | 365.95 |
mp-1218617 | 7.792759 | 9.87923 | 1.433469 | other | Sr4Ca1Ho1Cu6Pb4O16 | 32 | 2 | 470.27 |
mp-43114 | 12.628059 | 6.541579 | -0.498892 | other | Ca6Ti2Al4Si6O26F4 | 48 | 2 | 547.18 |
mp-1204966 | 8.799786 | 1.428503 | -4.174543 | other | Cd3Co2H44Br12N12O4 | 77 | 2 | 913.95 |
mp-1217856 | 8.046213 | 2.027978 | -4.550457 | other | Tb2Ag2H36C40N12O24 | 116 | 2 | 1,213.45 |
mp-1228057 | 12.841551 | 6.23047 | -0.837624 | other | Ba1Na4Ti2Si10B2O30 | 49 | 2 | 592.08 |
mp-1104248 | 8.181146 | 1.609929 | -4.484587 | other | Cd1H6C2I2N2O2 | 15 | 2 | 256.26 |
mp-698522 | 10.007384 | 3.404685 | -5.152535 | other | Sb6P4H12C4N2O18 | 46 | 2 | 655.76 |
mp-1198893 | 8.445586 | 2.022839 | -4.650281 | other | Cu4H64C24S16N24O24 | 156 | 2 | 1,829.71 |
mp-759082 | 14.363017 | 8.513403 | -7.192041 | other | Li6V3Cr3P6O24F6 | 48 | 2 | 541.97 |
mp-1197601 | 9.269683 | 6.948349 | -3.596455 | other | Rb4Mg1Fe8H6Se16O50 | 85 | 2 | 1,297.21 |
mp-705559 | 13.062329 | 6.706655 | -0.951011 | other | Na6Ca6Zr4Si8O30F6 | 60 | 2 | 874.25 |
mp-733782 | 4.65111 | 2.821569 | -3.718356 | other | K4C12Se4S12N12O2 | 46 | 2 | 1,005.02 |
mp-1204491 | 12.313394 | 6.804538 | -0.917067 | other | Ca4Mn2Al4Si8B2O32 | 52 | 2 | 585.37 |
mp-1193243 | 12.533402 | 6.044086 | -6.131563 | other | Co2B2P4H2Pb2O18 | 30 | 2 | 353.72 |
mp-1221003 | 8.02539 | 2.01966 | -4.534362 | other | Nd2Ag2H36C40N12O24 | 116 | 2 | 1,237.6 |
mp-1211023 | 12.90213 | 10.260285 | -0.579382 | other | Na2Pd1W6S2N2O6 | 19 | 2 | 367.31 |
mp-1233286 | 14.01334 | 6.941313 | -5.130519 | other | Sr2Mg1Zn2Sn2P4O16 | 27 | 2 | 383.13 |
mp-2230167 | 12.370496 | 11.950866 | -1.411741 | other | K2Mg1Mn3V2H2O10 | 20 | 2 | 256.8 |
mp-1182270 | -0.534266 | 2.596953 | -3.317076 | other | Cs4Hg2C4S2I8O2 | 22 | 2 | 946.48 |
mp-720394 | 12.582931 | 6.489086 | -0.672301 | other | Ca10Ta2Ti6Al2Si10O50 | 80 | 2 | 921.24 |
mp-560363 | 8.781346 | 1.264273 | -4.423103 | other | V2H28C8N2O4F6 | 50 | 2 | 463.72 |
mp-534838 | 12.649018 | 6.460909 | -0.593861 | other | Ca10Ta3Ti4Al3Si10O50 | 80 | 2 | 949.16 |
mp-776556 | 13.230228 | 7.803957 | -7.275986 | other | Li4Mn2V2P4H4O20 | 36 | 2 | 364.63 |
mp-1408232 | 7.449218 | 4.868019 | -1.777618 | other | Sr2Fe2B2P4H4O20 | 34 | 2 | 367.28 |
mp-1195917 | 11.953973 | 3.732076 | -3.369042 | other | Na2B14H28C4N4O28 | 80 | 2 | 721.22 |
mp-534953 | 12.621411 | 6.530662 | -0.663589 | other | Ca8Ti6Al2Si8O38F2 | 64 | 2 | 749.39 |
mp-684696 | 13.041855 | 6.279861 | -0.892216 | other | Ba1Na4Ti2Si10B2O30 | 49 | 2 | 638.81 |
mp-1213344 | 10.013751 | 4.29775 | -5.196139 | other | Na3U2H28S10N9O44 | 96 | 2 | 1,153.1 |
mp-728713 | 7.374297 | 2.235386 | -4.390622 | other | Na8Ni4H24C16N16O12 | 80 | 2 | 973.49 |
mp-1227867 | 12.614649 | 6.012573 | -2.05146 | other | Ca4Mn2Fe2Si8H10O30 | 56 | 2 | 621.88 |
mp-1196314 | 8.155655 | 1.108114 | -4.475715 | other | Cu2H48C18S6I2N12 | 88 | 2 | 1,061.57 |
mp-1198867 | 8.117727 | 1.628841 | -4.464128 | other | H40Rh2C6N18Cl12O2 | 80 | 2 | 1,007.75 |
mp-558541 | 8.086176 | 0.899658 | -4.411618 | other | H18C6Se2S2N4Cl2 | 34 | 2 | 399.92 |
mp-1234096 | 10.098401 | 1.738754 | -1.298784 | other | Ca1Al2H4Pb2O4F6 | 19 | 2 | 271.45 |
mp-1203146 | 7.960854 | 0.399798 | -4.42639 | other | Ti2Si6H60C20N8Cl4 | 100 | 2 | 1,257.6 |
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