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-1101258 | -3.960148 | -0.116161 | -4.40732 | other | Ti3S6 | 9 | 164 | 204.5 |
mp-665 | -4.641617 | -2.634006 | -3.854698 | other | Sn1Se2 | 3 | 164 | 82.91 |
mp-1069983 | -7.400392 | -1.814827 | 4.647618 | other | Al3Ru2 | 5 | 164 | 78.54 |
mp-1206713 | -6.113821 | -4.149252 | 6.052255 | other | Al2Zn1 | 3 | 164 | 46.36 |
mp-1018138 | -1.264359 | 2.08435 | -2.611629 | other | V1I2 | 3 | 164 | 104.47 |
mp-27943 | -0.01133 | 2.03385 | 2.119869 | other | W6N3 | 9 | 164 | 122.92 |
mp-1096866 | 6.718883 | 8.735184 | -2.357088 | other | Cd1O2 | 3 | 164 | 43.41 |
mp-1094870 | -7.483801 | -8.2833 | 6.69915 | other | Y2Mg2 | 4 | 164 | 113.68 |
mp-10905 | -8.044647 | -3.558706 | 3.375282 | other | Al3Pt2 | 5 | 164 | 79.54 |
mp-685055 | -6.284743 | -2.567755 | -1.820757 | other | Cr8Te16 | 24 | 164 | 641.05 |
mp-1009113 | -8.142968 | -7.989519 | 3.31222 | other | Ho1Hg2 | 3 | 164 | 83.32 |
mp-1039056 | -7.261201 | -7.081985 | 2.506906 | other | Mg2Cd4 | 6 | 164 | 135.63 |
mp-13060 | 10.621697 | 8.613279 | 3.131257 | other | Sc2O3 | 5 | 164 | 56.38 |
mp-1223728 | -8.036556 | -5.022142 | 3.156973 | other | In2Pt1 | 3 | 164 | 74.14 |
mp-1014454 | 0.309055 | 2.167608 | 2.148741 | other | Cr3N2 | 5 | 164 | 49.23 |
mp-1272139 | -0.418197 | 1.194778 | -4.403944 | other | Sn1Br2 | 3 | 164 | 106.5 |
mp-29671 | -1.060374 | 1.172402 | -1.579626 | other | Tm1I2 | 3 | 164 | 110.24 |
mp-1662 | -5.849086 | -2.881026 | -1.896082 | other | Te8Au4 | 12 | 164 | 301.65 |
mp-1017579 | -8.495576 | -6.110406 | 2.25187 | other | In2Au3 | 5 | 164 | 106.23 |
mp-1038975 | -7.034267 | -7.796175 | 2.888696 | other | Mg2Cd2 | 4 | 164 | 89.46 |
mp-567402 | -1.207668 | 2.840155 | -3.00571 | other | Cd6I12 | 18 | 164 | 692.29 |
mp-8652 | 8.53272 | 2.565693 | -1.308394 | other | S3F18 | 21 | 164 | 262.41 |
mp-1028698 | -7.48249 | 1.677256 | -4.854691 | other | W4Se8 | 12 | 164 | 347.19 |
mp-27922 | -1.172244 | 2.493103 | -2.920318 | other | Ge3I6 | 9 | 164 | 343.14 |
mp-1224694 | -7.764674 | -0.582879 | 3.162471 | other | Fe2Pd1 | 3 | 164 | 40.66 |
mp-694 | -5.151314 | -1.252823 | -3.315154 | other | V1Se2 | 3 | 164 | 64.56 |
mp-1094355 | -4.870356 | -7.507812 | 3.517771 | other | Sr4Mg2 | 6 | 164 | 272.41 |
mp-1207013 | -7.693846 | -2.395401 | 3.960655 | other | Si2Rh3 | 5 | 164 | 69.08 |
mp-570418 | -1.310218 | 2.097008 | -2.024367 | other | Yb1I2 | 3 | 164 | 134.73 |
mp-6997 | -5.636869 | -4.074805 | -1.476121 | other | Sb6Te3 | 9 | 164 | 295.84 |
mp-13061 | 10.00997 | 8.526751 | 3.242351 | other | Y2O3 | 5 | 164 | 67.6 |
mp-2646 | -5.617412 | -6.094145 | 0.605272 | other | Mg3Sb2 | 5 | 164 | 131.18 |
mp-1221487 | 2.153732 | 2.945788 | -4.448119 | other | Mo3Cl18 | 21 | 164 | 558 |
mp-1206914 | -5.98868 | -3.279282 | -2.094626 | other | Zn1Te2 | 3 | 164 | 78.91 |
mp-1079408 | -6.658709 | -7.050372 | 3.37918 | other | Li5In4 | 9 | 164 | 172.53 |
mp-1217264 | -5.692188 | -4.571615 | 4.177909 | other | Th1Zr2 | 3 | 164 | 77.93 |
mp-1039083 | -6.672916 | -6.303826 | 5.724181 | other | Ce2Mg2 | 4 | 164 | 98.33 |
mp-1057 | -7.926686 | -2.16319 | 3.654415 | other | Al3Ni2 | 5 | 164 | 67.44 |
mp-2285 | -6.186888 | -2.449486 | -0.705449 | other | Te2Ir1 | 3 | 164 | 74.9 |
mp-1221567 | -7.91373 | -2.591711 | 2.838817 | other | Mn1Pt2 | 3 | 164 | 46.22 |
mp-1228448 | 12.760866 | 7.241616 | 0.907221 | other | Al2O3 | 5 | 164 | 59.73 |
mp-25470 | 2.103762 | 2.459749 | -4.455802 | other | Al1Cl3 | 4 | 164 | 82.26 |
mp-567336 | -1.207449 | 2.840863 | -3.006969 | other | Cd4I8 | 12 | 164 | 463.1 |
mp-1018655 | 6.083158 | 2.485788 | -3.072561 | other | C2N4 | 6 | 164 | 51.67 |
mp-1009581 | -5.296267 | -1.615829 | -3.780914 | other | Cr1Se2 | 3 | 164 | 62.25 |
mp-569240 | -5.767311 | -1.719719 | -2.841697 | other | Fe3Se4 | 7 | 164 | 123.7 |
mp-1028586 | -9.527465 | 1.988136 | -4.058506 | other | Te8W4 | 12 | 164 | 431.78 |
mp-1017565 | -4.793838 | -2.810628 | -3.97138 | other | In2Se3 | 5 | 164 | 135.05 |
mp-1014160 | 1.112353 | 1.431909 | 2.732082 | other | Zr2N2 | 4 | 164 | 49.2 |
mp-28013 | -1.050428 | 2.605523 | -3.278356 | other | Mn1I2 | 3 | 164 | 107.54 |
mp-1186 | -4.045657 | -0.775966 | -4.219085 | other | Zr1S2 | 3 | 164 | 71.29 |
mp-567510 | -6.25606 | -6.692597 | 2.73073 | original | Ba1Sn2 | 3 | 164 | 108.6 |
mp-13065 | 10.026712 | 8.321516 | 3.274385 | other | Ho2O3 | 5 | 164 | 66.09 |
mp-1023925 | -6.109997 | 2.239093 | -5.388204 | other | W2S4 | 6 | 164 | 207.7 |
mp-995122 | -4.095566 | -0.095607 | -3.661366 | other | Nb1S2 | 3 | 164 | 62.21 |
mp-2578 | -6.134943 | -2.332415 | -1.055849 | other | Ni1Te2 | 3 | 164 | 69.45 |
mp-1062935 | -8.193727 | -8.041132 | 3.419017 | other | La1Hg2 | 3 | 164 | 80.84 |
mp-1225239 | -6.845856 | -0.426173 | 3.656236 | other | Fe3Ge2 | 5 | 164 | 68.01 |
mp-1224793 | -8.413713 | -3.533307 | 2.30499 | other | Fe1Pd2 | 3 | 164 | 41.49 |
mp-1207193 | -6.098865 | -2.905243 | -2.052125 | other | Cu1Te2 | 3 | 164 | 70.78 |
mp-849057 | -5.725903 | -0.913989 | -3.756054 | other | Fe2S2 | 4 | 164 | 51.38 |
mp-1207204 | 8.634743 | 1.152955 | 1.897856 | other | Lu1F3 | 4 | 164 | 53.05 |
mp-510753 | 5.74585 | 11.907834 | -1.655245 | other | Ni1O2 | 3 | 164 | 31.33 |
mp-1221162 | -6.568977 | -0.800411 | 4.127388 | other | Nb19Fe20 | 39 | 164 | 566.81 |
mp-985829 | -4.038149 | -0.741057 | -4.296486 | other | Hf1S2 | 3 | 164 | 69.47 |
mp-569581 | -6.894697 | -4.638008 | 0.481042 | other | Bi6Pt3 | 9 | 164 | 244.62 |
mp-1062228 | 6.768288 | 8.673157 | -2.218537 | other | Ca1O2 | 3 | 164 | 41.96 |
mp-30031 | -1.177137 | 2.026156 | -1.974128 | other | Ca1I2 | 3 | 164 | 128.07 |
mp-1062824 | -7.681525 | -7.831979 | 2.849853 | other | Yb1Hg2 | 3 | 164 | 76.21 |
mp-1218948 | -3.448362 | -3.961844 | 0.515345 | other | Sn2P2 | 4 | 164 | 101.7 |
mp-1216564 | 7.066693 | 9.359405 | -1.572502 | other | Tl2O3 | 5 | 164 | 72.81 |
mp-22787 | -6.716245 | -0.162869 | 3.457114 | other | Fe4Si2 | 6 | 164 | 63.45 |
mp-1018150 | -5.425992 | -2.100486 | -1.5341 | other | Nb1Te2 | 3 | 164 | 85.7 |
mp-1064427 | -0.135125 | 0.614332 | -2.95191 | other | Gd2Br2 | 4 | 164 | 130.26 |
mp-1224800 | -6.24513 | -2.43496 | -1.191575 | other | Fe1Te2 | 3 | 164 | 71.09 |
mp-1069841 | 0.176497 | 2.00453 | 2.261094 | other | V2N3 | 5 | 164 | 43.03 |
mp-1226378 | -5.536212 | 0.021915 | 3.155422 | other | Cr2C1 | 3 | 164 | 29.05 |
mp-1225831 | 1.485589 | 2.151418 | 0.989625 | other | Cu10N3 | 13 | 164 | 168.46 |
mp-1008626 | -6.100422 | -2.099933 | -1.672601 | original | V1Te2 | 3 | 164 | 80.49 |
mp-2156 | -3.95807 | -0.105966 | -4.435328 | other | Ti3S6 | 9 | 164 | 183.47 |
mp-21423 | 11.421771 | 8.820949 | 2.654774 | other | Pu2O3 | 5 | 164 | 73.18 |
mp-567483 | -1.208155 | 2.843201 | -3.006048 | other | Cd6I12 | 18 | 164 | 682 |
mp-1690 | -3.996009 | -0.071125 | -3.676435 | other | Ta1S2 | 3 | 164 | 61.13 |
mp-2763 | 9.745079 | 8.394533 | 3.135554 | other | Nd2O3 | 5 | 164 | 77.17 |
mp-1001117 | 0.201682 | 2.397115 | 2.128365 | other | Mn3N2 | 5 | 164 | 47.44 |
mp-9561 | -4.773224 | 0.348057 | -4.62042 | other | V1S2 | 3 | 164 | 54.93 |
mp-27902 | -4.604663 | -3.133935 | -3.645844 | other | Bi6Se6 | 12 | 164 | 373.75 |
mp-1204207 | -5.678624 | -2.359512 | 3.441977 | other | Nb30Ge21 | 51 | 164 | 869.86 |
mp-1940 | 2.134967 | 1.831029 | 1.847722 | other | Th2N3 | 5 | 164 | 81.61 |
mp-617 | 7.944949 | 10.713473 | -0.747941 | other | Pt1O2 | 3 | 164 | 35.46 |
mp-1094480 | -7.528548 | -10.865487 | 4.905751 | other | Mg4Zn2 | 6 | 164 | 121.18 |
mp-2063 | 9.739834 | 8.496702 | 3.15722 | other | Pr2O3 | 5 | 164 | 79.38 |
mp-1226350 | -6.39747 | -2.682314 | -1.781841 | other | Cr3Te5 | 8 | 164 | 204.31 |
mp-567534 | -1.207529 | 2.840848 | -3.006797 | other | Cd8I16 | 24 | 164 | 926.07 |
mp-1069815 | -8.120267 | -4.544394 | 3.065829 | other | In3Pt2 | 5 | 164 | 100.96 |
mp-13146 | 1.702871 | 1.696152 | 1.345963 | other | Ca3N2 | 5 | 164 | 89.2 |
mp-29950 | 1.286937 | 2.120572 | -3.805863 | other | Nb6Cl16 | 22 | 164 | 511.48 |
mp-1024087 | -4.040592 | -0.776113 | -4.220671 | other | Zr63S128 | 191 | 164 | 4,728.1 |
mp-1297 | -8.087101 | -5.193283 | 1.942926 | other | Tl9Pd13 | 22 | 164 | 407.71 |
mp-1027525 | -5.226682 | 1.46803 | -4.358152 | other | Mo4S8 | 12 | 164 | 302.66 |
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