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-1219693 | 7.721353 | 2.387607 | -4.209459 | other | Sb4H6C6S2Cl12O10F6 | 46 | 2 | 985.51 |
mp-1220771 | 4.023514 | 2.843616 | -4.066488 | other | Rb4Nb6C6S6N6Cl12O4 | 44 | 2 | 1,140.87 |
mp-1205251 | 7.653911 | 1.861787 | -3.92678 | other | Si4B2H36C62S2O6F46 | 158 | 2 | 2,043.14 |
mp-1199171 | 8.68812 | 1.828562 | -4.497295 | other | Co1H24C4S4N8Cl2O8 | 51 | 2 | 610.68 |
mp-1200476 | 8.28652 | 1.763318 | -4.499012 | other | Ag2H28C6S6N12Cl2O2 | 58 | 2 | 690.47 |
mp-1050641 | 8.05348 | 1.124913 | -4.518697 | other | Na6Bi4H84C36I18N12O18 | 178 | 2 | 2,899 |
mp-1194231 | 7.868592 | 0.215263 | -4.459427 | other | Na2Co2Si8H72C24N4O1 | 113 | 2 | 1,272.93 |
mp-1211060 | 12.696881 | 6.339005 | -0.623551 | other | Na5Ca7Zr2Ti2Si8O30F6 | 60 | 2 | 781.54 |
mp-605172 | 7.592513 | 1.239779 | -4.326819 | other | Cu6As4H32C32Br6N4O4 | 88 | 2 | 1,247.34 |
mp-720410 | 12.794336 | 6.305318 | -0.755583 | other | K4Na2Ca4Ti2Si14H2O40 | 68 | 2 | 882.41 |
mp-738637 | 8.036049 | 1.120957 | -4.512002 | other | Na6Bi4H84C36I18N12O18 | 178 | 2 | 2,899.24 |
mp-1223736 | 12.762685 | 6.319273 | -0.650514 | other | K6Na3Ti2Al2Si8Cl3O26 | 50 | 2 | 772.15 |
mp-1195293 | 8.439413 | 2.493935 | -0.718503 | other | Na4Sb10C4S4N4O6F18 | 50 | 2 | 874.03 |
mp-696989 | 8.504545 | 2.247978 | -4.823107 | other | Na2P2H10C4S2N6O8 | 34 | 2 | 410.4 |
mp-738718 | 10.514684 | 3.179263 | -4.269098 | other | Na10P6H96C8N2O54F6 | 182 | 2 | 1,727.87 |
mp-1215002 | 8.387844 | 2.203794 | -4.60621 | other | Ag4H16C4S4N10Cl2O6 | 46 | 2 | 600.07 |
mp-1201753 | 8.48261 | 1.979635 | -4.536302 | other | Zn2Co2H44C10N20Cl8O12 | 98 | 2 | 1,192.1 |
mp-1205229 | 8.684054 | 1.833354 | -4.489844 | other | Ni1H24C4S4N8Cl2O8 | 51 | 2 | 597.04 |
mp-722316 | 8.497182 | 2.240704 | -4.802183 | other | K2P2H10C4S2N6O8 | 34 | 2 | 443.14 |
mp-1210688 | 14.410834 | 4.688108 | -6.602372 | other | Na11Ti1Nb2Si4P2O24F2 | 46 | 2 | 598.22 |
mp-743972 | 13.96769 | 7.803804 | -1.126905 | other | K2Na1Nb2Fe7Si8H4O31 | 55 | 2 | 696.93 |
mp-721086 | 10.568032 | 3.326999 | -4.786167 | other | Li2Cu1P6H20C2N6O22 | 59 | 2 | 611.8 |
mp-1202559 | 9.442355 | 1.886851 | -4.447346 | other | Ga12P16H112C28N14O64F2 | 248 | 2 | 2,540.56 |
mp-1199187 | 8.703466 | 1.776767 | -4.523145 | other | Zn2H24C4S4N8Cl4O8 | 54 | 31 | 670.89 |
mp-1209817 | 4.849767 | 3.147788 | -3.756062 | other | Re4H4C4S4N8Cl12O4 | 40 | 29 | 1,046.32 |
mp-1198643 | 8.415796 | 2.042696 | -4.559865 | other | Zn4H48C12Se4S12N24O16 | 120 | 29 | 1,462.03 |
mp-744190 | 8.58149 | 1.321998 | -3.782962 | other | K4Mo4H24C8N2O6F18 | 66 | 39 | 885.21 |
mp-711343 | 5.014559 | 2.996146 | -3.734004 | other | H16Ru8C64S24N8Cl24O24 | 168 | 33 | 4,467.31 |
mp-1233282 | 9.030943 | 2.322876 | -4.608591 | other | Mg1Zn1H20Pt1C4N4O12 | 43 | 44 | 443.15 |
mp-1205154 | 7.905054 | 0.337286 | -4.493919 | other | Ga2Si6P2H60C20N4Cl8 | 102 | 4 | 1,361.34 |
mp-1210786 | 12.711067 | 6.558396 | -0.446213 | other | Na4Ca8Zr2Nb2Si8O32F4 | 60 | 4 | 802.84 |
mp-1200911 | 8.594466 | 1.151069 | -4.371377 | other | Mn2P2H30C6N2Cl6O6 | 54 | 4 | 625.63 |
mp-6903 | 12.758101 | 6.172378 | -0.67626 | other | Na4Ca8Zr2Nb2Si8O34F2 | 60 | 4 | 796 |
mp-1221911 | 12.75173 | 6.148015 | -0.690372 | other | Na4Ca8Zr2Nb2Si8O34F2 | 60 | 4 | 808.71 |
mp-738707 | 7.951958 | 0.367265 | -4.467539 | other | Si4P4H72C24I4N4Cl4 | 116 | 45 | 1,492.5 |
mp-1218668 | 8.133136 | 9.89865 | 1.556439 | other | Sr6Ca1Y2Ti1Cu6Hg2O20 | 38 | 47 | 531.95 |
mp-1221913 | 12.184774 | 7.030115 | -1.415855 | other | Na6Mg4Mn8Be12Si18Sn6O78 | 132 | 5 | 1,519.58 |
mp-1223701 | 12.936855 | 5.606555 | -5.878944 | other | K1Rb1Mn2Ga4P6H8O28 | 50 | 5 | 607.48 |
mp-605018 | 8.85675 | 2.194357 | -4.611514 | other | Na4Ag4H64C16S16N8O40 | 152 | 52 | 1,812.05 |
mp-721059 | 8.564095 | 2.66753 | -4.646809 | other | H32Au4C8S8N16Cl4O16 | 88 | 54 | 1,117.64 |
mp-1196552 | 8.096369 | 1.752175 | -4.464952 | other | H104Os4C24S24Br12N48O4 | 220 | 56 | 2,980.22 |
mp-1236476 | 8.19001 | 9.471667 | 1.414686 | other | Ba1Sr1Li1Nd1Tl1Cu2O7 | 14 | 6 | 226.9 |
mp-1235697 | 8.271857 | 9.414732 | 1.485808 | other | Ba1Sr1Li1Nd1Tl1Cu2O7 | 14 | 6 | 206.12 |
mp-1235341 | 7.973571 | 9.467359 | 1.3752 | other | Ba1Sr1Li1Nd1Tl1Cu2O7 | 14 | 6 | 217.2 |
mp-1235195 | 8.17266 | 9.493614 | 1.409437 | other | Ba1Sr1Li1Nd1Tl1Cu2O7 | 14 | 6 | 223.44 |
mp-1235631 | 8.261958 | 9.402892 | 1.485243 | other | Ba1Sr1Li1Nd1Tl1Cu2O7 | 14 | 6 | 204.19 |
mp-705526 | 8.312816 | 1.630613 | -4.466877 | other | H64Au4C24S8N16Cl4O16 | 136 | 60 | 1,565.33 |
mp-1195007 | 9.911738 | 2.047486 | -4.072301 | other | Al8Zn8B40H128C32N32O80 | 328 | 61 | 3,168.47 |
mp-720895 | 8.130869 | 1.757711 | -4.562202 | other | Re4H88C16S16N32Cl32O12 | 200 | 62 | 2,746.26 |
mp-1195948 | 4.96483 | 2.538917 | -3.7727 | other | Ag4H4Pb4C8S4N8O4 | 36 | 62 | 664.17 |
mp-651073 | 7.697314 | 2.356934 | -1.688711 | other | Cd4As8C16S4N16O8F48 | 104 | 62 | 1,672 |
mp-1213094 | 10.843781 | 3.730997 | -4.553493 | other | K4Na4Cu4P16H72N16O60 | 176 | 62 | 1,869.82 |
mp-698252 | 6.541624 | 3.768734 | -4.009488 | other | K4V8H8C32N8O20F20 | 100 | 62 | 1,732.44 |
mp-706285 | 5.697808 | 2.410688 | -3.951575 | other | Na8H16Pt4C16Br8N16O8 | 76 | 62 | 1,203.25 |
mp-1196439 | 8.115763 | 0.657788 | -4.480851 | other | Sn8P4H128C44N12Cl8O4 | 208 | 62 | 2,732.29 |
mp-643643 | 7.153741 | 2.22248 | -4.176274 | other | Ba4H8C4S4N4Cl4O4 | 32 | 62 | 582.41 |
mp-1212142 | 5.551986 | 2.210926 | -4.115831 | other | K4Cu8H8C8Br4N8O4 | 44 | 62 | 779.62 |
mp-24765 | 7.33963 | 2.148179 | -4.371584 | other | K2Ho2H16Ru2C12N12O8 | 54 | 63 | 683.59 |
mp-1197449 | 7.823868 | 1.755759 | -4.388562 | other | H32Os2C8S8Br16N16O6 | 88 | 63 | 1,545.6 |
mp-707926 | 8.123906 | 1.780509 | -4.547596 | other | Re2H44C8S8N16Cl16O6 | 100 | 63 | 1,364.93 |
mp-1204309 | 8.024071 | 1.692655 | -4.419663 | other | Sb4H32C8S8Br12N16O4 | 84 | 64 | 1,531.4 |
mp-1196770 | 6.288994 | 2.096143 | -3.992252 | other | Rb8Na4Mn4H24C20N22O12 | 94 | 64 | 1,498.28 |
mp-1218785 | 7.005239 | 10.119586 | 0.77699 | other | Sr8Ca3Nd1Tl2Cu8Pb2O28 | 52 | 69 | 712.11 |
mp-1201766 | 9.753262 | 2.508756 | -4.497977 | other | Na2Cu2H56C2S12N8O28 | 110 | 7 | 1,155.61 |
mp-1235008 | 9.008893 | 2.304379 | -4.576442 | other | Mg1Zn1H20Pt1C4N4O12 | 43 | 71 | 487.88 |
mp-1212630 | 13.585749 | 8.491868 | -0.785187 | other | K2Ba1Na2Ti4Si8W4O28 | 49 | 8 | 725.6 |
mp-1233381 | 9.131133 | 2.21731 | -4.608096 | other | Mg1Zn1H20Pt1C4N4O12 | 43 | 8 | 384.39 |
mp-1210262 | 12.563857 | 6.520356 | -0.721161 | other | Na4Ca4Be4Al1Si7O24F4 | 48 | 82 | 566.72 |
mp-643446 | 10.847145 | 4.304947 | -5.286973 | other | Ca2Al1H8S2Cl1O12F2 | 28 | 87 | 320.46 |
mp-1195904 | 9.302598 | 1.593092 | -4.475929 | other | Al2Zn2B10H42C12N10O20 | 98 | 9 | 890.61 |
mp-696179 | 7.395978 | 2.291409 | -4.392979 | other | K2Na2H12Pt2C8N8O6 | 40 | 9 | 531.99 |
mp-1225035 | 8.37098 | 0.884852 | -4.43132 | other | La2P4H88C28N14Cl8O4 | 148 | 9 | 1,612.98 |
mp-1194814 | 8.752228 | 1.37258 | -3.6111 | other | Hg2Te10H72C24N6O10F50 | 174 | 9 | 2,158.76 |
mp-1203926 | 9.09217 | 2.549454 | -4.616014 | other | H26Ru2C12S2N8O16F18 | 84 | 9 | 945.98 |
mp-510635 | 13.493705 | 7.149127 | -0.831492 | other | K2Na4Li2Ti4Fe4Si16O48 | 80 | 9 | 969.39 |
mp-1229095 | 9.117925 | 10.138972 | 2.974256 | other | Ba2Ca1Ce1Gd2Ti2Cu2O14 | 24 | 99 | 316.39 |
mp-1202468 | 8.418197 | 1.022749 | -4.453266 | other | U4P8H144C48Br8N24O16 | 252 | 92 | 2,928.49 |
mp-1221915 | 12.895264 | 6.618242 | -0.951745 | other | Na4Ca4Zr4Mn2Fe2Si8O34F2 | 60 | 1 | 756.97 |
mp-1224604 | 13.391455 | 6.97883 | -0.846458 | other | K2Na4Li2Ti4Mn3Fe1Si16O48 | 80 | 1 | 979.12 |
mp-1221086 | 13.385141 | 6.939244 | -1.655276 | other | Na1Mg3V3Cr3Si6B3H3O31 | 53 | 1 | 592.15 |
mp-562835 | 8.00909 | 1.013989 | -4.53266 | other | Ga2Co2P2H36C18N2Cl4O6 | 72 | 11 | 940.53 |
mp-1213587 | 13.648466 | 8.425838 | -0.809634 | other | K4Ba2Na4Ti8Mn1Si16W8O58 | 101 | 12 | 1,476.96 |
mp-1204520 | 7.521008 | 0.395785 | -4.078145 | other | Ag4B40P8H160C60N4Cl8O12 | 296 | 14 | 3,323.71 |
mp-1201374 | 4.942043 | 2.777948 | -3.667555 | other | Cs4Ca2Ag4H8C12S12N12O4 | 58 | 14 | 1,316.03 |
mp-1204081 | 8.179749 | 0.635137 | -4.483495 | other | Cu12Mo4H96C32S12I12N8O4 | 180 | 14 | 2,808.41 |
mp-863003 | 13.421991 | 6.357147 | -1.324647 | other | Na1Al6Fe3Si6B3H3O30F1 | 53 | 160 | 542.16 |
mp-746679 | 8.46665 | 1.061078 | -4.536527 | other | Co2P4H48C16S8N2Cl2O8 | 90 | 2 | 1,073.99 |
mp-728472 | 8.463721 | 1.04915 | -4.547302 | other | Fe2P4H48C16S8N2Cl2O8 | 90 | 2 | 1,082.18 |
mp-707264 | 9.678482 | 3.862622 | -5.388846 | other | Na2Ca6U2H32C6S2O50F2 | 102 | 2 | 1,149.51 |
mp-1201468 | 8.781423 | 1.589224 | -4.406924 | other | K2P2H24Pt2C4N4Cl4O8 | 50 | 2 | 614.25 |
mp-1221189 | 12.223135 | 6.563709 | -1.241665 | other | Na5Ca7Zr2Ti1Mn1Si8O32F4 | 60 | 2 | 777.64 |
mp-1221604 | 13.004572 | 5.816452 | -6.061979 | other | Na4Ca2Mn2Al4P4H4O20F8 | 48 | 2 | 496.3 |
mp-1214950 | 13.012628 | 6.693093 | -0.731184 | other | Ba2Na1Ce2Ti2Fe1Si8H1O27 | 44 | 5 | 577.05 |
mp-1223707 | 13.417576 | 7.027554 | -0.843546 | other | K2Na4Li2Ti4Mn2Fe2Si16O48 | 80 | 9 | 970.74 |
mp-1213447 | 12.321283 | 7.378032 | -1.755825 | other | K1Ba1Na1Ca1Ti4Fe8Si8O38F2 | 64 | 10 | 798.68 |
mp-1215061 | 13.739526 | 8.040988 | -0.758696 | other | Ba4Na2Ti4Mn2Re4Si16H2O52F2 | 88 | 40 | 1,129.18 |
mp-1221055 | 13.1117 | 6.059818 | -1.100149 | other | Na1Mg2Al6V1Si6B3H3O31 | 53 | 8 | 542.39 |
mp-2716079 | 14.17199 | 4.615199 | -7.36706 | other | Na15La6Ti6Si3P15O72 | 117 | 1 | 1,709.79 |
mp-2714759 | 12.209938 | 3.962495 | -7.955626 | other | Na15Zn6In6P9S9O72 | 117 | 1 | 1,586.74 |
mp-2716076 | 13.118189 | 3.228104 | -8.410012 | other | Na42Hf6Mg18Si15S21O144 | 246 | 1 | 3,206.68 |
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