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-12953 | -5.975152 | -3.675154 | -1.710673 | other | Tm1Ag1Te2 | 4 | 164 | 113.1 |
mp-1078294 | 8.311296 | 2.205064 | -1.113808 | other | Sn1N2F6 | 9 | 164 | 129.17 |
mp-2210716 | -3.837184 | -0.939416 | -5.031771 | other | Mg1Ti1S2 | 4 | 164 | 65.85 |
mp-1206416 | -4.267127 | -4.749903 | 6.261607 | other | Ho1Al2Si2 | 5 | 164 | 100.14 |
mp-756094 | -5.361717 | -0.718058 | -4.501919 | other | Li1Fe1S2 | 4 | 164 | 57.82 |
mp-1247380 | 2.117766 | 2.286751 | 1.284896 | other | Zn2In1N2 | 5 | 164 | 67.88 |
mp-10402 | 8.704084 | 1.348487 | 1.118976 | other | Ti1Tl2F6 | 9 | 164 | 144.55 |
mp-1246112 | 0.824256 | 2.249122 | 2.021326 | other | Li2V1N2 | 5 | 164 | 43.13 |
mp-1216710 | -6.563693 | -1.373697 | 4.501889 | other | U4Cr7Si1 | 12 | 164 | 181.32 |
mp-561443 | -2.465908 | -0.719059 | -5.278406 | other | Ba3P2S8 | 13 | 164 | 340.21 |
mp-21421 | 11.489306 | 8.804593 | 2.707057 | other | Pu2S1O2 | 5 | 164 | 87.56 |
mp-777843 | 2.689026 | 2.372806 | 1.585421 | other | Ge16N16O8 | 40 | 164 | 428.08 |
mp-1070314 | -5.018509 | -5.216941 | 0.435873 | other | Eu1Cd2As2 | 5 | 164 | 125.95 |
mp-1223818 | 1.278474 | 2.318068 | -5.618629 | other | K2Na1Cl3 | 6 | 164 | 167.22 |
mp-1246150 | 1.57895 | 1.708317 | 1.271412 | other | Ba1Sr2N2 | 5 | 164 | 134.77 |
mp-1192440 | 10.549425 | 10.636969 | 3.36708 | other | Eu5Ta4O15 | 24 | 164 | 324.86 |
mp-1101917 | -5.976311 | -3.675472 | -1.953906 | other | Sn1Bi4Te7 | 12 | 164 | 427.06 |
mp-1226812 | -3.13623 | -3.80461 | -3.12596 | other | Ce2Th1S3 | 6 | 164 | 143.9 |
mp-726124 | 7.500643 | 6.58707 | -3.204688 | other | Ni1I2O6 | 9 | 164 | 156.3 |
mp-1246182 | 0.554842 | 2.3442 | 1.988657 | other | Ba1Mn2N2 | 5 | 164 | 67.34 |
mp-562631 | 6.886543 | 7.130618 | -3.478533 | other | K4S2O8 | 14 | 164 | 245.34 |
mp-1226017 | -6.228669 | -2.246423 | -0.680209 | other | Co1Ni1Te2 | 4 | 164 | 71.52 |
mp-1212198 | 6.548158 | 6.590887 | -3.754803 | other | Hg1Cl2O14 | 17 | 164 | 252.42 |
mp-1247051 | 2.07173 | 2.364587 | 1.303138 | other | Mg1Pb2N2 | 5 | 164 | 92 |
mp-1220734 | -4.213161 | -0.322463 | -3.567833 | other | Nb2Fe1S4 | 7 | 164 | 114.62 |
mp-1246570 | 2.268788 | 2.152524 | 1.573764 | other | Ca1Ge2N2 | 5 | 164 | 78.57 |
mp-4638 | -6.094322 | -3.09251 | -2.16805 | other | Tl1Cr1Te2 | 4 | 164 | 116.27 |
mp-1222716 | -3.99113 | -0.103796 | -3.616249 | other | Li1Ta2S4 | 7 | 164 | 126.04 |
mp-1247546 | 2.040405 | 2.195517 | 1.404212 | other | Zn2Cd1N2 | 5 | 164 | 63.67 |
mp-1216848 | -7.12713 | 0.055978 | 4.400314 | other | Ti2Nb2Fe8 | 12 | 164 | 152.37 |
mp-8280 | -4.755766 | -5.315213 | 0.426039 | other | Ba1Mg2As2 | 5 | 164 | 135.84 |
mp-570930 | -4.524518 | -3.249491 | -3.728376 | other | Bi2Pb2Se5 | 9 | 164 | 267.91 |
mp-11917 | 2.564892 | 2.362458 | 1.482591 | other | Mg1Be2N2 | 5 | 164 | 37.93 |
mp-1202320 | 11.61256 | 7.385541 | -2.406384 | other | Mn16Si12O50 | 78 | 164 | 1,093.16 |
mp-7770 | -4.844187 | -4.946157 | 0.282428 | other | Sr1Zn2As2 | 5 | 164 | 111.92 |
mp-1217935 | -7.015807 | 0.123392 | 4.017145 | other | Ta2Fe8W2 | 12 | 164 | 155.66 |
mp-1028594 | -9.416069 | 1.996613 | -3.852463 | other | Te8Mo2W2 | 12 | 164 | 439.7 |
mp-1206373 | -4.633578 | -2.495624 | -3.223935 | original | Li1Hf1Se2 | 4 | 164 | 78.5 |
mp-1221224 | 1.10854 | 1.759596 | -5.168031 | other | Na3Br1Cl2 | 6 | 164 | 138.82 |
mp-10918 | -0.602104 | 0.546354 | 0.040504 | other | Rb2Pd1C2 | 5 | 164 | 132.57 |
mp-7431 | -5.442456 | -5.744651 | 0.582209 | other | Sr1Zn2Sb2 | 5 | 164 | 136.51 |
mp-1224923 | -5.826543 | -1.541091 | 4.915848 | other | Gd2Fe5Si8 | 15 | 164 | 215.58 |
mp-8181 | 2.108238 | 1.958818 | 1.591328 | other | Li2Ce1N2 | 5 | 164 | 60.05 |
mp-1216060 | -3.157069 | -4.030437 | -2.866143 | other | Y2U1Se3 | 6 | 164 | 143.2 |
mp-1246439 | 0.922464 | 2.351451 | 1.887504 | other | Li2Ru1N2 | 5 | 164 | 45.18 |
mp-28222 | -0.517815 | 1.186842 | -4.473511 | other | Rb3Sb2Br9 | 14 | 164 | 518.28 |
mp-1096785 | -4.18561 | -1.417848 | -6.016076 | other | Al2Zn2S5 | 9 | 164 | 176.88 |
mp-571448 | 1.379924 | 2.487634 | -5.913037 | other | Cs2Pu1Cl6 | 9 | 164 | 296.02 |
mp-2647029 | 1.503918 | 2.279199 | -4.101791 | other | Ti2C1Cl2 | 5 | 164 | 83.84 |
mp-7779 | -5.24196 | -4.743437 | 0.610751 | other | Li2Nd1As2 | 5 | 164 | 111.87 |
mp-1247124 | 0.985337 | 2.425777 | 1.7975 | other | Li2Co1N2 | 5 | 164 | 40.67 |
mp-20595 | -4.111599 | -5.070574 | 6.085104 | other | Eu1Al2Si2 | 5 | 164 | 107.54 |
mp-7543 | -5.049863 | 0.007232 | -5.147869 | other | Li1V1S2 | 4 | 164 | 63.48 |
mp-862787 | -4.808859 | -2.994585 | -4.032124 | other | Al6In6Se18 | 30 | 169 | 815.54 |
mp-1173465 | 8.437053 | 2.440144 | -1.071445 | other | Os6O12F24 | 42 | 169 | 925.57 |
mp-757594 | 8.436646 | 2.50991 | -1.139434 | other | Os6O12F24 | 42 | 169 | 608.58 |
mp-504951 | -3.985665 | -1.303305 | -5.853029 | other | In6Ga6S18 | 30 | 169 | 718.62 |
mp-504952 | -4.783619 | -2.790896 | -3.923865 | other | In6Ga6Se18 | 30 | 169 | 819.59 |
mp-504482 | -3.998208 | -1.358304 | -5.955678 | other | Al6In6S18 | 30 | 169 | 713.39 |
mp-1211077 | 7.165878 | 7.786854 | -3.530114 | other | Li12I6O36 | 54 | 169 | 751.94 |
mp-1209235 | 8.535189 | 1.113658 | 1.936972 | other | Rb2Sc6F20 | 28 | 17 | 427.73 |
mp-1199037 | 10.621363 | 11.786736 | 3.25686 | other | Na8Nb8O24 | 40 | 17 | 519.12 |
mp-33326 | -3.695486 | -4.069967 | 0.874609 | other | Li24Mn8P16 | 48 | 17 | 773.03 |
mp-1200058 | 6.892365 | 11.965883 | 1.627618 | other | Sr16Mn12O40 | 68 | 17 | 896.67 |
mp-1212444 | 8.397524 | 1.663678 | -0.379985 | other | In6N2F20 | 28 | 17 | 466.67 |
mp-1209107 | 8.247779 | 1.414016 | 0.938298 | other | Sc6N2F20 | 28 | 17 | 434.92 |
mp-560381 | 8.507833 | 1.118812 | 0.931879 | other | Rb2In6F20 | 28 | 17 | 462.66 |
mp-680683 | 13.792018 | 4.18527 | -2.391866 | other | Cs4B36O56 | 96 | 17 | 1,210.57 |
mp-30148 | 5.978637 | 2.302686 | -2.798615 | other | B2C4N2 | 8 | 17 | 47.44 |
mp-1216781 | 11.786895 | 10.229991 | 1.862047 | other | U2Nb2O10 | 14 | 17 | 199.47 |
mp-850025 | 9.480918 | 7.858291 | -6.133734 | other | Co24P24O96 | 144 | 170 | 2,308.28 |
mp-1179308 | 7.036608 | 5.989252 | -4.298278 | other | Sr3S6O30 | 39 | 171 | 707.66 |
mp-1214392 | 7.025574 | 5.896059 | -4.347774 | other | Ca3S6O30 | 39 | 171 | 661.03 |
mp-726207 | 7.023986 | 5.900121 | -4.351425 | other | Ca3S6O30 | 39 | 172 | 662 |
mp-761288 | 12.852011 | 5.714314 | -3.185491 | other | Mn2B2O6 | 10 | 167 | 95.03 |
mp-1246532 | 4.913494 | 2.115603 | -2.721327 | other | Bi4C6N12 | 22 | 167 | 403.58 |
mp-552588 | 10.618235 | 11.998482 | 2.537289 | other | Li2Nb2O6 | 10 | 167 | 111.44 |
mp-28564 | -0.304932 | 1.474656 | -4.598032 | other | Rb8Pb2Br12 | 22 | 167 | 858.04 |
mp-1196964 | -3.222559 | -4.26645 | 0.79748 | other | Ba18Al18P30 | 66 | 167 | 1,828.86 |
mp-18290 | -5.599001 | -7.012757 | 3.54957 | other | Sr12Ga10N2 | 24 | 167 | 664.54 |
mp-1192709 | -0.384016 | 0.971666 | -4.450907 | other | Cs6Ho4Br18 | 28 | 167 | 1,058 |
mp-1183021 | 12.017407 | 6.550925 | -6.577375 | other | Al22P24O96 | 142 | 167 | 2,497.86 |
mp-1019742 | 15.247254 | 5.588854 | -0.285435 | other | He4Si4O8 | 16 | 167 | 201.71 |
mp-1192144 | 2.552347 | 2.064286 | 1.541048 | other | Nd6B6N12 | 24 | 167 | 295.33 |
mp-989593 | 0.956109 | 2.413981 | 1.792186 | other | La2Tc2N6 | 10 | 167 | 124.18 |
mp-555428 | 8.792576 | 10.953178 | 0.70945 | other | Sr30Re12O72 | 114 | 167 | 1,687.45 |
mp-548824 | 7.141218 | 8.357375 | -0.63849 | other | Ba2Tb2O6 | 10 | 167 | 174.92 |
mp-989581 | 0.927264 | 2.380825 | 1.822286 | other | La2Re2N6 | 10 | 167 | 123.46 |
mp-31358 | 13.694729 | 4.509668 | -2.182584 | other | Rb6B6O12 | 24 | 167 | 386.14 |
mp-642996 | 3.097114 | -0.639709 | -2.036604 | other | Li8H12Os2 | 22 | 167 | 195.44 |
mp-1143773 | 15.247253 | 5.588855 | -0.285435 | other | He4Si4O8 | 16 | 167 | 201.71 |
mp-29331 | 9.292562 | 1.895926 | -1.451553 | other | K2H6F8 | 16 | 167 | 181.12 |
mp-753948 | 12.088001 | 9.853546 | 2.270036 | other | Pr2Ti2O6 | 10 | 167 | 124.52 |
mp-15012 | -2.982466 | -0.873762 | -5.418667 | other | K6B6S12 | 24 | 167 | 598.95 |
mp-505346 | 13.947648 | 5.788147 | -1.596218 | other | Eu6B4O12 | 22 | 167 | 291.67 |
mp-15571 | -4.805876 | -3.028037 | -4.057877 | other | K6Au2Se4 | 12 | 167 | 419.57 |
mp-1078188 | 8.051567 | 11.32488 | 0.194528 | other | Li2Os2O6 | 10 | 167 | 99.41 |
mp-754684 | 8.139792 | 9.613983 | 1.386542 | other | Ba8Ir2O12 | 22 | 167 | 390.23 |
mp-770347 | 6.720923 | 11.530573 | 0.71877 | other | Tb2Ni2O6 | 10 | 167 | 108.19 |
mp-23436 | -0.218108 | 1.620765 | -4.816646 | other | Cs8Pb2Br12 | 22 | 167 | 964.83 |
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