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-756513 | 7.900814 | 13.929461 | -1.785598 | other | Mn3Cu1O8 | 12 | 166 | 141.04 |
mp-1226598 | 10.055007 | 8.756556 | 3.228805 | other | Ce1Th3O8 | 12 | 166 | 172.08 |
mp-1007665 | -2.747955 | -2.596136 | -5.783119 | other | Ho1Tl1S2 | 4 | 166 | 103.44 |
mp-1190611 | -7.793054 | 0.745077 | 4.83305 | other | Nd2Fe17H3 | 22 | 166 | 266.43 |
mp-1220912 | -2.627425 | -2.679765 | -5.679378 | other | Na1Pr1S2 | 4 | 166 | 99.62 |
mp-1226785 | -7.703143 | -1.805879 | 4.744467 | other | Ce2Ni1Ru3 | 6 | 166 | 101.98 |
mp-13314 | -5.892758 | -3.787582 | -1.863437 | other | Sc1Tl1Te2 | 4 | 166 | 127.7 |
mp-1216767 | 0.128893 | 1.791055 | 2.552305 | other | Ti1V1N2 | 4 | 166 | 36.7 |
mp-1225310 | -7.373555 | -2.291466 | 6.319494 | other | Dy2Al3Fe1 | 6 | 166 | 115.13 |
mp-1217115 | -4.068383 | -0.203726 | 3.004013 | other | Ti3W1C4 | 8 | 166 | 82.05 |
mp-27261 | -9.001122 | -0.918434 | 4.316626 | other | Ba7B12Ir12 | 31 | 166 | 574.37 |
mp-1017514 | 2.25139 | 2.357984 | 1.73395 | other | Mg1Si1N2 | 4 | 166 | 34.48 |
mp-14006 | 8.736007 | 1.364729 | 0.914719 | other | Ba1Ge1F6 | 8 | 166 | 110.72 |
mp-1215552 | -7.107074 | -0.3833 | 5.278852 | other | Zr2Al1Fe3 | 6 | 166 | 91.95 |
mp-999119 | -2.752156 | -2.565774 | -5.727526 | other | Tb1Tl1S2 | 4 | 166 | 105.48 |
mp-1215387 | 1.190907 | 1.602687 | 2.690928 | other | Zr4C1N3 | 8 | 166 | 98.68 |
mp-754472 | 9.898172 | 8.94869 | 2.704309 | other | Ho1Cu1O2 | 4 | 166 | 60.13 |
mp-758388 | 5.470904 | 11.016541 | -2.164301 | other | Li3Fe3O8 | 14 | 166 | 143.68 |
mp-1215561 | -7.477639 | -1.740607 | 3.881973 | other | Zr2V1Ni3 | 6 | 166 | 87.42 |
mp-1246508 | 0.501974 | 2.699764 | 1.510672 | other | Fe1Pd2N2 | 5 | 166 | 56.58 |
mp-1104306 | 8.48932 | 6.886281 | -3.821437 | other | Rb3Se2O8 | 13 | 166 | 253.2 |
mp-1188589 | -8.007051 | 0.628513 | 3.748798 | other | Er1Co12B6 | 19 | 166 | 188.34 |
mp-1219660 | -2.896298 | -0.034003 | 2.659922 | other | Pu1Ta1C2 | 4 | 166 | 52.05 |
mp-31082 | -6.033419 | -6.508717 | 3.846944 | other | Li4Zr1Ge2 | 7 | 166 | 122.89 |
mp-15796 | -4.239938 | -4.241085 | -3.860337 | other | Li1Ho1Se2 | 4 | 166 | 90.88 |
mp-1006885 | -2.725618 | -2.627404 | -5.668955 | other | K1Nd1S2 | 4 | 166 | 111.41 |
mp-1222135 | -2.450316 | -6.114701 | 7.138669 | other | Mg2Cu1Si3 | 6 | 166 | 95.21 |
mp-1226882 | -7.065343 | -3.554674 | 5.985984 | other | Ce2Al3Fe1 | 6 | 166 | 117.74 |
mp-1174181 | 4.018927 | 19.436903 | -1.826943 | other | Li6Co4O10 | 20 | 166 | 179.22 |
mp-1008561 | -5.935412 | -3.824274 | -1.830933 | other | Tm1Tl1Te2 | 4 | 166 | 136.6 |
mp-2210614 | -4.619342 | -0.334111 | -5.338977 | other | Mg1V1S2 | 4 | 166 | 68.51 |
mp-1216840 | -3.465588 | -3.443545 | -2.443745 | other | U5P1S4 | 10 | 166 | 206.35 |
mp-1246060 | 1.791487 | 1.890191 | 2.341851 | other | Zr6Ag3N9 | 18 | 166 | 258.59 |
mp-1221682 | -5.474422 | -1.625907 | -3.523656 | other | Mn1Co1Se2 | 4 | 166 | 69.41 |
mp-1217142 | 0.815971 | 1.850765 | 2.570543 | original | Ti2C1N1 | 4 | 166 | 39.33 |
mp-23009 | 0.975673 | 2.15575 | -1.319015 | other | Ca2Br1N1 | 4 | 166 | 81.78 |
mp-1001786 | -2.681181 | -2.601263 | -5.649093 | other | Li1Sc1S2 | 4 | 166 | 71.36 |
mp-641957 | -7.377216 | 1.089737 | 4.057464 | other | Nd1Fe12B6 | 19 | 166 | 198.16 |
mp-8348 | 8.328867 | 1.823367 | -0.223937 | other | Tl1Sb1F6 | 8 | 166 | 131.66 |
mp-568062 | -4.353053 | -3.895009 | -3.878895 | other | Dy1Tl1Se2 | 4 | 166 | 116.1 |
mp-1079706 | -4.003181 | -0.40529 | 3.059792 | other | Ti5Al2C3 | 10 | 166 | 132.55 |
mp-7942 | -3.782009 | -0.69945 | -5.008013 | other | Na1Ti1S2 | 4 | 166 | 73.25 |
mp-1218707 | -3.529073 | -2.300556 | -5.163422 | other | Sr2Se1S1 | 4 | 166 | 117.05 |
mp-1404711 | 6.627397 | 15.25347 | -1.572631 | other | Li4Co4O8 | 16 | 166 | 138.99 |
mp-755007 | 11.436753 | 8.670209 | 2.571452 | other | Ce2O2F2 | 6 | 166 | 92.09 |
mp-11178 | 2.064027 | 1.689483 | 1.667212 | other | Sr1Ce1N2 | 4 | 166 | 68.7 |
mp-1219190 | -2.930914 | -3.791648 | -3.415739 | other | Sm3Ho1S4 | 8 | 166 | 177.12 |
mp-1228756 | -7.508564 | -4.219471 | 1.320724 | other | As1Pd6Pb1 | 8 | 166 | 132.3 |
mp-5273 | -5.859261 | -3.867994 | -1.760965 | other | K1Pr1Te2 | 4 | 166 | 153.51 |
mp-1444973 | -5.375393 | -0.075282 | -5.674468 | other | Zn1Cr4S8 | 13 | 166 | 243.02 |
mp-1223820 | -6.649404 | -3.293445 | 5.096242 | other | Hf2Al3Cu1 | 6 | 166 | 98.05 |
mp-1222116 | -6.479733 | -10.931993 | 5.032453 | other | Mg4Si1Sn1 | 6 | 166 | 143.1 |
mp-641101 | -6.180461 | -6.748525 | 2.70885 | other | K34Zn20In85 | 139 | 166 | 4,229.96 |
mp-1220378 | -4.484838 | -0.014805 | 3.022454 | other | Nb1Mo3C4 | 8 | 166 | 86.39 |
mp-2219157 | 12.633672 | 11.753023 | 1.846217 | other | Mg1Ti4O8 | 13 | 166 | 150.27 |
mp-18921 | 7.131172 | 14.240775 | -1.57481 | other | Na1Co1O2 | 4 | 166 | 37 |
mp-1219780 | 7.950593 | 8.41202 | -3.216606 | other | Rb2Te3O12 | 17 | 166 | 280.48 |
mp-752546 | 11.733441 | 12.656781 | 1.813404 | other | Li1Ti4O8 | 13 | 166 | 150.09 |
mp-1390152 | -5.359422 | -0.053036 | -5.668706 | other | Mg1Cr4S8 | 13 | 166 | 242.3 |
mp-752924 | 7.280907 | 8.660114 | -1.562011 | other | Na1Yb1O2 | 4 | 166 | 55.32 |
mp-1215847 | -7.212177 | -4.922337 | 5.498089 | other | Yb2Al3Cu1 | 6 | 166 | 120.12 |
mp-1067160 | -2.994193 | -2.338843 | -5.271687 | other | Li1Yb1S2 | 4 | 166 | 80.76 |
mp-570032 | 0.437103 | 0.897552 | -2.854178 | other | Ca3Si1Br2 | 6 | 166 | 216.89 |
mp-1105815 | -8.010603 | 0.679128 | 3.746214 | other | Nd1Co12B6 | 19 | 166 | 187.82 |
mp-14205 | -4.838356 | -5.302141 | 0.468774 | other | K3Cu3As2 | 8 | 166 | 195.07 |
mp-1443045 | -5.284594 | -0.851529 | -4.423479 | other | Ca1Ni4S8 | 13 | 166 | 236.84 |
mp-1078005 | -5.839635 | -4.967453 | 0.952898 | other | K1Cu4Sb2 | 7 | 166 | 143.95 |
mp-755272 | 13.108432 | 12.176003 | -0.149492 | other | Li3V5O8 | 16 | 166 | 158.33 |
mp-1215256 | 0.731358 | 1.441657 | 2.774934 | other | Zr1Nb1N2 | 4 | 166 | 46.54 |
mp-31406 | -5.232474 | -3.537985 | -2.731948 | other | Bi2Te1Se2 | 5 | 166 | 167.38 |
mp-778241 | 9.822665 | 2.86066 | 1.895883 | other | Li2V3F8 | 13 | 166 | 172.48 |
mp-1216690 | -4.309237 | -0.025076 | 2.907671 | other | Ti1W1C2 | 4 | 166 | 41.23 |
mp-1182539 | -4.488441 | -7.15609 | 3.854635 | other | Ba2Sr1Np1 | 4 | 166 | 178.54 |
mp-1286093 | 12.829102 | 11.190482 | 1.641559 | other | Ti8Mn4O16 | 28 | 166 | 324.23 |
mp-10777 | -4.222012 | -3.901374 | -3.524112 | other | Rb1Ce1Se2 | 4 | 166 | 134.31 |
mp-1222851 | 2.25697 | 1.628317 | 1.919064 | other | La1Gd1N2 | 4 | 166 | 68.34 |
mp-1201837 | 6.549611 | 5.961656 | -3.970312 | other | Mo6Cl8O18 | 32 | 166 | 664.25 |
mp-27185 | 8.423433 | 1.181382 | 1.685308 | other | K1Th6F25 | 32 | 166 | 503.14 |
mp-1007663 | -6.014897 | -3.813752 | -1.823557 | other | Ho1Tl1Te2 | 4 | 166 | 138.39 |
mp-675569 | 8.627658 | 1.807991 | -0.579274 | other | K1P1F6 | 8 | 166 | 107.13 |
mp-1209619 | 8.061284 | 0.915623 | 1.208963 | other | Rb3Bi1F6 | 10 | 166 | 354.41 |
mp-1221706 | -5.13185 | -0.780478 | -5.227067 | other | Mn4Cd1S5 | 10 | 166 | 178.81 |
mp-1105798 | -8.013093 | 0.659331 | 3.751093 | other | Sm1Co12B6 | 19 | 166 | 190.11 |
mp-31402 | -8.520923 | -2.893566 | 4.231687 | other | Sm2Ge1Rh3 | 6 | 166 | 108.79 |
mp-1078089 | -6.477 | -3.882317 | -0.405535 | other | Pd3Pb2Se2 | 7 | 166 | 152.94 |
mp-1219737 | -2.594107 | 0.017161 | 2.654189 | other | Pu1U4C5 | 10 | 166 | 157.77 |
mp-1226587 | 11.534175 | 8.506075 | 2.110989 | original | Ce1U4O10 | 15 | 166 | 199.87 |
mp-1221762 | 9.959269 | 9.090823 | 0.391244 | other | Mn4Cd16O20 | 40 | 166 | 507.56 |
mp-1219187 | -7.67595 | -0.322095 | 5.591575 | other | Sm2Fe3Ru1 | 6 | 166 | 104.35 |
mp-1192281 | 7.764773 | 4.988546 | -3.594752 | other | Cs1B12O12 | 25 | 166 | 427.44 |
mp-1222918 | 2.158106 | 1.727013 | 1.839442 | other | La1Ce1N2 | 4 | 166 | 69.29 |
mp-675227 | 6.739483 | 11.887913 | 1.427163 | other | Ba5Mn5O15 | 25 | 166 | 334.79 |
mp-1189362 | -9.389936 | -4.709526 | 4.038834 | other | Dy2Ga5Cu12 | 19 | 166 | 276.23 |
mp-1215898 | 2.09586 | 1.743058 | 1.904081 | other | Y1Sc1N2 | 4 | 166 | 52.76 |
mp-1101401 | 9.390933 | 8.39057 | 2.776379 | other | Rb1Pr1O2 | 4 | 166 | 77.01 |
mp-851082 | 8.089931 | 14.076537 | -1.70999 | other | Mn15Ni1O32 | 48 | 166 | 558.58 |
mp-1215592 | 1.236903 | 1.579337 | 2.58566 | other | Zr2C1N1 | 4 | 166 | 50.36 |
mp-1217693 | -8.605246 | -0.537745 | 4.97445 | other | Tb2Co3Ni1 | 6 | 166 | 92.65 |
mp-1215517 | -7.280668 | -0.364643 | 5.25583 | other | Zr2Mn1Fe3 | 6 | 166 | 90.6 |
mp-1104026 | -3.329167 | 1.79178 | 2.736816 | other | Be1B12C2 | 15 | 166 | 112.11 |
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