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-1110929 | -0.551822 | 1.257242 | -4.385728 | other | K3As1Br6 | 10 | 225 | 385.63 |
mp-1187418 | -5.724981 | -1.974961 | 4.173065 | other | Ti2Al1W1 | 4 | 225 | 63.73 |
mp-861894 | -6.725037 | -6.595043 | 4.050856 | other | Li2La1Sn1 | 4 | 225 | 86.49 |
mp-867795 | -5.93789 | -1.567896 | 4.175748 | other | Sc1Nb1Tc2 | 4 | 225 | 65.61 |
mp-1187701 | -8.373412 | -7.221836 | 4.978378 | other | Y2Ag1Hg1 | 4 | 225 | 98.56 |
mp-862752 | -6.799326 | -4.818722 | 0.716144 | other | Sm1Bi1Pd2 | 4 | 225 | 86.65 |
mp-1185367 | -7.479924 | -7.661939 | 2.014128 | other | Li1In1Hg2 | 4 | 225 | 87.07 |
mp-1194178 | -7.968052 | -4.254484 | 4.341798 | other | Ti6Al16Pd7 | 29 | 225 | 455.26 |
mp-865003 | -6.517846 | -1.585254 | 4.026388 | other | Be2Ir1Pd1 | 4 | 225 | 43.72 |
mp-865984 | -6.844638 | -7.688056 | 2.273037 | other | Ba1Tl1Hg2 | 4 | 225 | 122.58 |
mp-30731 | -8.455061 | -4.872476 | 2.713677 | other | Ho1Sn1Pd2 | 4 | 225 | 76.15 |
mp-1228340 | 1.627091 | 1.966209 | 1.268799 | other | Ba2N1F1 | 4 | 225 | 82.54 |
mp-982667 | -7.309222 | -2.105625 | 5.906672 | other | Li1Al2Os1 | 4 | 225 | 55.3 |
mp-862881 | -7.545436 | -7.003734 | 4.735927 | other | Ca1Pm1Cd2 | 4 | 225 | 110.74 |
mp-863673 | -8.096364 | -6.577759 | 6.556978 | other | Li1Pm2Rh1 | 4 | 225 | 91.2 |
mp-1186785 | -7.879677 | -6.905356 | 4.934218 | other | Pr1Eu1Zn2 | 4 | 225 | 102.25 |
mp-865877 | -6.360207 | -1.884274 | 4.106293 | other | Ti2Re1Pt1 | 4 | 225 | 61.71 |
mp-979712 | -8.504256 | -6.853818 | 5.38262 | other | Dy1Y1Zn2 | 4 | 225 | 90.08 |
mp-865280 | -6.820298 | -0.019419 | 3.990726 | other | Nb1Al1Fe2 | 4 | 225 | 51.07 |
mp-1187603 | -7.088435 | -2.740851 | 1.703999 | other | Tm1Sb1Rh2 | 4 | 225 | 72.52 |
mp-866069 | -8.433125 | -3.274171 | 3.946781 | other | Mg1Sc1Rh2 | 4 | 225 | 62.66 |
mp-23406 | 1.628895 | 2.761425 | -5.569968 | other | Cs2Pt1Cl6 | 9 | 225 | 276.27 |
mp-1185244 | -7.680306 | -6.457579 | 6.254589 | other | Li1Y2Ga1 | 4 | 225 | 93.73 |
mp-866173 | -8.834581 | -5.713019 | 6.491782 | other | Y2Ru1Rh1 | 4 | 225 | 78.77 |
mp-1193083 | -6.324495 | -0.154857 | 3.51279 | other | Mn20W3C6 | 29 | 225 | 291.95 |
mp-1187489 | -5.844711 | -1.270713 | 4.009406 | other | Ti1Tc2Ge1 | 4 | 225 | 57.21 |
mp-862898 | -8.679148 | -5.309333 | 3.267112 | other | Pm1Cd1Pd2 | 4 | 225 | 80.32 |
mp-1183606 | -6.181261 | -7.000051 | 4.176673 | other | Ca1Eu1Ga2 | 4 | 225 | 100.77 |
mp-1206039 | 8.393028 | 1.033686 | 0.992036 | other | Rb2Sn1F6 | 9 | 225 | 164.97 |
mp-861652 | -8.234316 | -3.967024 | 3.244595 | other | Li1Lu1Pt2 | 4 | 225 | 67.38 |
mp-866290 | -8.508602 | -2.97123 | 3.555888 | other | Dy1Sn1Rh2 | 4 | 225 | 71.91 |
mp-1186223 | -7.250948 | -1.550467 | 4.369506 | other | Nb1Fe1Ru2 | 4 | 225 | 57.79 |
mp-1110959 | -1.189473 | 2.415058 | -2.313154 | other | K3Ce1I6 | 10 | 225 | 541.99 |
mp-862814 | -6.013448 | -1.602666 | 4.283311 | other | Pa1Si1Tc2 | 4 | 225 | 66.7 |
mp-1187459 | -8.950084 | -4.373777 | 4.028903 | other | Ti1Ga1Cu2 | 4 | 225 | 53.03 |
mp-1187091 | -5.743699 | -7.297522 | 3.414754 | other | Sr2Tl1Zn1 | 4 | 225 | 126.3 |
mp-1005693 | -8.020977 | -6.897883 | 5.551234 | other | Sm2In1Hg1 | 4 | 225 | 110.05 |
mp-1186832 | -7.960415 | -6.523444 | 5.658425 | other | Pr1Nd1In2 | 4 | 225 | 117.08 |
mp-865298 | -8.712946 | -5.033693 | 3.303496 | other | Tm1Zn1Pd2 | 4 | 225 | 68.59 |
mp-866019 | -7.221022 | -7.340131 | 4.934464 | other | Li1Nd1Tl2 | 4 | 225 | 102.43 |
mp-1187894 | -8.152763 | -5.72829 | 3.470557 | other | Yb2Cu1Pd1 | 4 | 225 | 83.1 |
mp-865945 | -8.527619 | -2.497935 | 3.477759 | other | Lu1In1Ni2 | 4 | 225 | 64.88 |
mp-1183312 | -5.41766 | -7.225009 | 3.193376 | other | Ba1Na2Pb1 | 4 | 225 | 132.84 |
mp-1185481 | -7.749046 | -6.461523 | 5.18387 | other | Li1Sm1In2 | 4 | 225 | 99.7 |
mp-1187171 | -7.415716 | -5.470677 | 3.390343 | other | Sr1Eu1Pt2 | 4 | 225 | 96.97 |
mp-866281 | -9.040122 | -5.738786 | 6.358831 | other | Er2Pd1Ru1 | 4 | 225 | 78.21 |
mp-1185603 | -7.735874 | -8.379319 | 6.718467 | other | La1Sm1Mg2 | 4 | 225 | 119.59 |
mp-865866 | -8.076016 | -3.857869 | 3.2479 | other | Li1Zr1Pt2 | 4 | 225 | 65.25 |
mp-1187170 | -6.458367 | -6.999941 | 4.045266 | other | Sr1Ac1Ga2 | 4 | 225 | 119.49 |
mp-865187 | -8.087013 | -2.29932 | 3.393111 | other | Mg1Fe1Rh2 | 4 | 225 | 55.52 |
mp-864717 | -8.590177 | -5.169818 | 3.607297 | other | Pa1Cu2Sn1 | 4 | 225 | 73.08 |
mp-1187645 | -8.491234 | -5.593872 | 4.406046 | other | Yb1Ce1Cu2 | 4 | 225 | 83.26 |
mp-866067 | -7.989389 | -6.786864 | 5.733882 | other | Nd2Cd1In1 | 4 | 225 | 115.46 |
mp-865529 | -7.372502 | -2.148959 | 3.768919 | other | Ti2Ni1Ir1 | 4 | 225 | 56.81 |
mp-865118 | -8.739402 | -6.396072 | 2.901719 | other | Na1Pr1Au2 | 4 | 225 | 93.16 |
mp-1188020 | -6.640128 | -2.630987 | 4.18134 | other | Zr2Tc1Ni1 | 4 | 225 | 68.03 |
mp-1209943 | 0.419683 | 2.231055 | 2.187354 | other | Pr6Cr20N22 | 48 | 225 | 532.58 |
mp-974463 | -8.135696 | -6.737259 | 3.066756 | other | La1Ag2Sn1 | 4 | 225 | 96.03 |
mp-554971 | 9.059986 | 1.762755 | 1.445225 | other | Zr1Fe1F6 | 8 | 225 | 138.54 |
mp-27632 | 1.619393 | 2.733208 | -5.229735 | other | K2Tc1Cl6 | 9 | 225 | 237.14 |
mp-865209 | -7.075404 | -2.334819 | 4.619673 | other | Tm1Hf1Os2 | 4 | 225 | 70.79 |
mp-982869 | -7.339047 | -6.040803 | 6.599834 | other | Pm1Y1Al2 | 4 | 225 | 96.87 |
mp-1184290 | -7.12291 | -6.928869 | 3.679127 | other | Eu1Mg1Cd2 | 4 | 225 | 100.53 |
mp-862964 | -7.86696 | -8.591119 | 6.8157 | other | Pm1Sm1Mg2 | 4 | 225 | 114.52 |
mp-861903 | -7.346564 | -3.567137 | 1.441689 | other | Li1Bi1Rh2 | 4 | 225 | 62.35 |
mp-978975 | -7.55062 | -7.374608 | 5.519646 | other | Tb1Y1Tl2 | 4 | 225 | 108.41 |
mp-1181796 | -5.573336 | -1.035309 | -3.642229 | other | Co8Ru1S8 | 17 | 225 | 239.67 |
mp-984702 | -8.254569 | -6.459519 | 5.006339 | other | Ce1Dy1Zn2 | 4 | 225 | 94.4 |
mp-1185447 | -8.063099 | -5.246537 | 3.031991 | other | Li1Yb1Pd2 | 4 | 225 | 69.69 |
mp-1192960 | -6.88246 | -0.13805 | 4.485501 | other | Zr6Fe16Si7 | 29 | 225 | 374.48 |
mp-861869 | -8.573955 | -4.959496 | 5.330925 | other | Ca1Lu1Rh2 | 4 | 225 | 77.44 |
mp-867969 | -8.103864 | -8.198146 | 3.427101 | other | Li1Gd1Hg2 | 4 | 225 | 90.2 |
mp-1185138 | -8.049792 | -6.846178 | 5.246363 | other | La1Pr1Zn2 | 4 | 225 | 103.31 |
mp-1187079 | -6.29709 | -7.265484 | 3.088755 | other | Sr2Cd1Hg1 | 4 | 225 | 128.99 |
mp-1188015 | -7.316391 | -2.156369 | 3.493586 | other | Zr1Sb1Ru2 | 4 | 225 | 67.41 |
mp-1185143 | -7.915993 | -6.955007 | 4.928812 | other | La2Cd1Hg1 | 4 | 225 | 119.47 |
mp-1193646 | -7.506983 | -0.332285 | 5.260637 | other | Y6Mn14Fe9 | 29 | 225 | 431.54 |
mp-21587 | -6.465318 | -1.88133 | 1.005026 | other | Mg6Ni16As7 | 29 | 225 | 373.28 |
mp-1183039 | -6.106157 | -1.839175 | 4.208893 | other | Zr1Ta1Tc2 | 4 | 225 | 66.82 |
mp-1184522 | -8.829556 | -6.107626 | 5.194286 | other | Gd1Lu1Cu2 | 4 | 225 | 80.2 |
mp-631418 | -5.323228 | -0.921629 | 3.672138 | other | Cu1Re2Cl1 | 4 | 225 | 55.34 |
mp-862364 | -8.289613 | -4.39746 | 4.805184 | other | Sc2Os1Pt1 | 4 | 225 | 67.83 |
mp-977550 | -7.218419 | -2.335283 | 4.659374 | other | Zr1Sc1Os2 | 4 | 225 | 68 |
mp-1184621 | -8.960577 | -6.277184 | 6.785067 | original | Ho2Ag1Os1 | 4 | 225 | 84.86 |
mp-862612 | -6.065734 | -1.59531 | 4.449592 | other | Sc1Pa1Tc2 | 4 | 225 | 73.67 |
mp-1111889 | 1.276701 | 2.054994 | -5.44284 | other | Na3Pr1Cl6 | 10 | 225 | 322.27 |
mp-865170 | -8.02687 | -1.797084 | 3.416358 | other | Ga1Fe1Rh2 | 4 | 225 | 53.73 |
mp-1114149 | -1.201331 | 3.01087 | -3.009235 | other | Rb2Tl2I6 | 10 | 225 | 497.85 |
mp-975515 | -8.011302 | -8.837849 | 6.991572 | other | Nd1Lu1Mg2 | 4 | 225 | 110.26 |
mp-1187340 | -8.054521 | -6.551362 | 5.780709 | other | Tb1Lu1In2 | 4 | 225 | 102.48 |
mp-864654 | -8.501004 | -2.686612 | 2.944348 | other | Zn2Ni1Rh1 | 4 | 225 | 50.13 |
mp-862928 | -7.178973 | -7.353554 | 4.91626 | other | Li1Pm1Tl2 | 4 | 225 | 100.64 |
mp-864631 | -8.247073 | -2.925252 | 3.825209 | other | Li1Nb1Rh2 | 4 | 225 | 57.31 |
mp-861628 | -7.822806 | -7.111144 | 5.508167 | other | Er2Tl1Cd1 | 4 | 225 | 101.75 |
mp-867144 | -7.465369 | -7.829656 | 2.510794 | other | Ca1Mg1Hg2 | 4 | 225 | 93.47 |
mp-1186739 | -9.014392 | -6.429234 | 2.724074 | other | Pr1Ag1Au2 | 4 | 225 | 87.99 |
mp-864893 | -8.243049 | -8.086497 | 3.188751 | other | Nd1Ag1Hg2 | 4 | 225 | 92.84 |
mp-866059 | -8.648653 | -3.325753 | 4.190823 | other | Gd1Mg1Rh2 | 4 | 225 | 70.73 |
mp-983602 | -8.178581 | -6.421734 | 1.988516 | other | Cd1Ag2Au1 | 4 | 225 | 72.11 |
mp-4771 | -8.847071 | -4.400441 | 4.177425 | other | Ti1Al1Cu2 | 4 | 225 | 53.43 |
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