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-1207031 | -0.618276 | 1.191064 | -2.003201 | other | Gd2Ga2I2 | 6 | 164 | 181.64 |
mp-1029316 | 1.863051 | 2.153217 | 1.743546 | other | Na2Zr1N2 | 5 | 164 | 86.73 |
mp-637292 | -5.434651 | -0.398136 | -5.836566 | other | Na1Cr1S2 | 4 | 164 | 71.65 |
mp-1028459 | -9.908289 | 2.592893 | -4.527991 | other | Te4W4Se4 | 12 | 164 | 401.26 |
mp-4150 | -5.705942 | -4.941837 | 0.723708 | other | Ca1Mn2Sb2 | 5 | 164 | 129.05 |
mp-1068431 | -5.562649 | -5.491028 | 0.704384 | other | Yb1Zn2Sb2 | 5 | 164 | 129.4 |
mp-753920 | 10.904076 | 8.078832 | 2.915476 | other | Tm2Se1O2 | 5 | 164 | 81.82 |
mp-1217815 | -5.512557 | -2.227381 | -1.472174 | other | Ta1Ti1Te4 | 6 | 164 | 170.91 |
mp-1206615 | -5.953158 | -3.47155 | -1.802066 | other | Lu1Cu1Te2 | 4 | 164 | 102.27 |
mp-1103410 | -5.821993 | -3.764407 | -2.058862 | other | Bi6Te4S2 | 12 | 164 | 408.24 |
mp-1247265 | 1.911062 | 2.14569 | 1.4923 | other | K2Ti1N2 | 5 | 164 | 93.37 |
mp-571647 | -1.09832 | 0.966669 | -1.411795 | other | La2P1I2 | 5 | 164 | 180.65 |
mp-1216841 | -5.285145 | -1.632512 | 1.817497 | other | Ti1Cr1P2 | 4 | 164 | 59.36 |
mp-1018631 | -4.484265 | -1.525322 | -5.715522 | other | Dy1Cu2S2 | 5 | 164 | 85.68 |
mp-1246166 | 0.312702 | 2.15367 | 2.292191 | other | Zr1Fe2N2 | 5 | 164 | 52.11 |
mp-1247326 | 2.292975 | 2.235343 | 1.682341 | other | Mg1Ge2N2 | 5 | 164 | 70.99 |
mp-759173 | 10.175866 | 12.255221 | -4.056214 | other | Li1V3O8 | 12 | 164 | 159.57 |
mp-1245589 | 2.03474 | 2.326764 | 1.356543 | other | Mg2Pb1N2 | 5 | 164 | 74.8 |
mp-8995 | 8.576837 | 1.442921 | 1.388067 | other | Cs2Nb1F6 | 9 | 164 | 173.19 |
mp-1182952 | -6.042338 | -3.586914 | -2.051681 | other | Ag3Bi3Te6 | 12 | 164 | 358.8 |
mp-1029309 | 1.843391 | 2.186463 | 1.892356 | other | Na2Hf1N2 | 5 | 164 | 85.21 |
mp-1208793 | -5.409151 | -5.942966 | 0.438881 | other | Sm1Mg5Sb4 | 10 | 164 | 270.9 |
mp-22214 | 8.437415 | 0.909123 | 0.076487 | other | Rb2Rh1F6 | 9 | 164 | 144.06 |
mp-17939 | 8.984438 | 1.285885 | 1.227764 | other | Na6Si3F18 | 27 | 164 | 346.54 |
mp-1245720 | 1.928274 | 2.382898 | 1.283904 | other | Zn1Pb2N2 | 5 | 164 | 108.3 |
mp-3534 | -5.718493 | -3.471285 | -2.101476 | other | Ge2Sb2Te5 | 9 | 164 | 283.52 |
mp-1246950 | 4.63694 | 2.24971 | -3.177271 | other | Mn1C8N6 | 15 | 164 | 257.54 |
mp-8018 | 8.56835 | 1.169886 | -0.092429 | other | K2Rh1F6 | 9 | 164 | 129.41 |
mp-1018769 | -5.497382 | -5.482575 | 0.695465 | other | Li3Nd1Sb2 | 6 | 164 | 134.21 |
mp-23789 | 11.779252 | 4.828712 | -4.015693 | other | Mn2H4O4 | 10 | 164 | 88.11 |
mp-1227675 | -8.709793 | -0.198725 | 4.463616 | other | Ce4Co32Cu2 | 38 | 164 | 491.45 |
mp-1206429 | 1.51737 | 1.92695 | 1.97819 | other | Li2U1N2 | 5 | 164 | 58.59 |
mp-1069723 | -5.226074 | -3.871447 | 0.824311 | other | U1Cu2As2 | 5 | 164 | 93.66 |
mp-27912 | 10.684098 | 4.726361 | -4.134284 | other | Ni1H2O2 | 5 | 164 | 37.86 |
mp-759839 | 9.627161 | 1.831566 | 0.507344 | other | Li2V1F6 | 9 | 164 | 142.42 |
mp-1235976 | 11.375437 | 8.601624 | 2.39823 | other | Li1Ho2O3 | 6 | 164 | 76.29 |
mp-697921 | 11.893507 | 4.557824 | -3.511721 | other | Mg5H8O9 | 22 | 164 | 176.73 |
mp-553303 | 8.391437 | 9.843798 | -0.451209 | other | Cs1Cu3O2 | 6 | 164 | 124.77 |
mp-3833 | -3.707066 | -5.011624 | 6.186648 | other | Mg1Al2Si2 | 5 | 164 | 96.45 |
mp-13972 | 10.717128 | 7.920611 | 2.746744 | other | Sm2Se1O2 | 5 | 164 | 93.28 |
mp-1218046 | -6.973338 | -0.69277 | 3.727169 | other | Ta2Co8Si2 | 12 | 164 | 144.64 |
mp-12894 | 10.662873 | 8.064794 | 2.806907 | other | Y2S1O2 | 5 | 164 | 82.12 |
mp-1224903 | -5.84127 | -1.029247 | -3.800811 | other | Fe1Ni1S2 | 4 | 164 | 52 |
mp-29615 | -6.103498 | -5.721633 | 0.703822 | other | Ca1Mn2Bi2 | 5 | 164 | 143.26 |
mp-1218051 | -4.356195 | -0.070596 | -3.471044 | original | Ta4Mo1S8 | 13 | 164 | 242.93 |
mp-1224375 | -5.721349 | -3.473361 | -2.083872 | other | Ge2Sb2Te5 | 9 | 164 | 273.09 |
mp-10919 | -0.71506 | 0.496633 | 0.173217 | other | Rb2Pt1C2 | 5 | 164 | 131.62 |
mp-570955 | 1.315851 | 1.976168 | -5.149123 | other | Na6U3Cl18 | 27 | 164 | 796.63 |
mp-1206993 | -4.453924 | -4.671088 | 6.164805 | other | Nd1Al2Si2 | 5 | 164 | 105.01 |
mp-570549 | -6.042942 | -3.584608 | -2.062613 | other | Ag3Bi3Te6 | 12 | 164 | 362.43 |
mp-29659 | -6.070698 | -3.069179 | -1.670082 | other | Fe3Ag3Te6 | 12 | 164 | 289.67 |
mp-1221403 | 11.497056 | 11.253097 | -2.328176 | other | Na1W3O9 | 13 | 164 | 168.46 |
mp-7979 | 8.473968 | 1.233568 | -0.250205 | other | K2Pd1F6 | 9 | 164 | 129.12 |
mp-8645 | -5.628493 | -3.43913 | -1.74081 | other | Ge1Te7As4 | 12 | 164 | 346.46 |
mp-1048826 | 11.580398 | 13.065159 | -0.162125 | other | Al4Cr12O24 | 40 | 164 | 437.84 |
mp-1017628 | -3.40357 | -3.933674 | 0.947694 | other | Mg1Be2P2 | 5 | 164 | 71.49 |
mp-5330 | -4.492042 | -4.500797 | 6.100827 | other | La2Al2Si4 | 8 | 164 | 173.42 |
mp-1030119 | -5.898602 | 2.029041 | -4.906017 | other | Mo2W2S8 | 12 | 164 | 304.62 |
mp-10996 | -5.518135 | -5.916412 | 0.580068 | other | Yb1Mg2Sb2 | 5 | 164 | 143.4 |
mp-1212709 | -6.372777 | -1.170816 | 1.123643 | other | Ga3Ni30P9 | 42 | 164 | 473.63 |
mp-1222682 | -2.923771 | 1.06613 | 2.651466 | other | Li1B2C2 | 5 | 164 | 45.43 |
mp-1225730 | -5.556521 | -1.85782 | 4.925773 | other | Er2Fe4Si9 | 15 | 164 | 214.12 |
mp-1215546 | -7.526616 | -6.535861 | 3.853452 | other | Yb2Cd2In2 | 6 | 164 | 160.7 |
mp-1224369 | -3.664134 | -0.344125 | 2.995879 | other | Hf1Ta3C4 | 8 | 164 | 97.54 |
mp-1147766 | -5.959123 | -6.368902 | 3.211038 | other | Ca1Al2Sn2 | 5 | 164 | 134.56 |
mp-644225 | 3.391984 | -0.675798 | -2.423928 | original | Sr2Mg1H6 | 9 | 164 | 108.75 |
mp-1019562 | 12.318483 | 6.424766 | 0.006809 | other | Ca4Si2O8 | 14 | 164 | 186.58 |
mp-1218335 | -4.025246 | -5.256451 | 5.551289 | other | Sr1Ca1Si4 | 6 | 164 | 134.81 |
mp-1221490 | -5.964036 | -0.220336 | 3.491735 | other | Mo3Ru3C2 | 8 | 164 | 101.76 |
mp-759286 | 7.126357 | 12.652997 | -1.108855 | other | Na1Ni2O3 | 6 | 164 | 60.52 |
mp-9566 | -5.366109 | -6.04822 | 0.444914 | other | Sr1Mg2Sb2 | 5 | 164 | 151.98 |
mp-1215230 | -6.99847 | -1.122426 | 4.641157 | other | Zr2Ti2Mn8 | 12 | 164 | 163.32 |
mp-1069383 | -3.256521 | -4.059639 | 0.79331 | other | Eu1Zn2P2 | 5 | 164 | 98.86 |
mp-1246497 | 1.044622 | 2.248741 | 1.786153 | other | Li2Ir1N2 | 5 | 164 | 46.39 |
mp-571210 | -0.618533 | 1.08455 | -1.939531 | other | Y2Ga2I2 | 6 | 164 | 183.38 |
mp-7233 | 10.68614 | 7.919827 | 2.830952 | other | La2Se1O2 | 5 | 164 | 103.65 |
mp-1018642 | -4.52507 | -1.469217 | -5.744765 | other | Y1Cu2S2 | 5 | 164 | 85.68 |
mp-643370 | 3.329398 | -0.70939 | -2.519098 | other | Ba2Mg1H6 | 9 | 164 | 128.49 |
mp-1246467 | 0.557641 | 2.205698 | 2.123255 | other | Ba1Cr2N2 | 5 | 164 | 68.05 |
mp-1216012 | -5.518899 | -1.305143 | 4.057255 | other | Y2Th2Re8 | 12 | 164 | 232.9 |
mp-5589 | -4.127771 | -3.407243 | 0.800425 | other | Sr1Mn2P2 | 5 | 164 | 91.55 |
mp-1222427 | -5.579941 | -1.864198 | 4.92159 | other | Lu2Fe4Si9 | 15 | 164 | 211.92 |
mp-1216733 | -4.975971 | -3.472875 | 0.795955 | other | U3As2Se1 | 6 | 164 | 130.77 |
mp-1227797 | -8.55688 | -0.261212 | 4.47017 | other | Ce4Hf2Co32 | 38 | 164 | 494.86 |
mp-1001615 | -4.604129 | -2.314961 | -3.202469 | other | Li1Zr1Se2 | 4 | 164 | 80.59 |
mp-22424 | 7.004817 | 7.02562 | -3.24348 | other | Na4S2O8 | 14 | 164 | 179.11 |
mp-1246360 | 1.750125 | 2.068332 | 1.011708 | other | Ca2Pb1N2 | 5 | 164 | 95.07 |
mp-1215291 | -7.25241 | 0.098574 | 4.941954 | other | Zr2Ti2Fe8 | 12 | 164 | 165.82 |
mp-28480 | 0.621333 | 0.859546 | -4.151945 | other | Sc2N1Cl2 | 5 | 164 | 88.81 |
mp-1172825 | 1.957307 | 2.14338 | 2.039778 | other | Zr2Br2N2 | 6 | 164 | 146.88 |
mp-1207005 | -4.472936 | -1.323996 | -2.923907 | other | Li1Ta1Se2 | 4 | 164 | 74.51 |
mp-1245502 | 1.508807 | 2.018209 | 2.291314 | other | Li2Ti1N2 | 5 | 164 | 43.92 |
mp-774411 | 12.798775 | 11.514004 | 0.339019 | other | Li2V1O2 | 5 | 164 | 46.93 |
mp-998919 | -6.175413 | -3.534227 | -2.336354 | other | Tl1Cd1Te2 | 4 | 164 | 126.58 |
mp-752737 | 12.001338 | -0.512157 | 1.091772 | other | Mn4O2F6 | 12 | 164 | 161.92 |
mp-1028589 | -9.96523 | 2.592077 | -4.482401 | other | Te4W4Se4 | 12 | 164 | 401.08 |
mp-2948 | 2.893214 | 2.423297 | 1.664362 | other | Si16N16O8 | 40 | 164 | 352.18 |
mp-1218966 | -5.727368 | -3.53765 | -2.133267 | other | Sn3Te2Se1 | 6 | 164 | 183.29 |
mp-1216174 | -6.488443 | 2.214906 | -5.594189 | other | W2Se2S2 | 6 | 164 | 123.01 |
mp-1245611 | 0.505217 | 2.355396 | 1.966451 | other | Sr1Fe2N2 | 5 | 164 | 63.04 |
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