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-1214171 | 7.315405 | 2.504154 | -2.912599 | other | C24F20 | 44 | 43 | 563.62 |
mp-30686 | -6.772179 | -3.568142 | 4.336355 | other | Zr4Ga6 | 10 | 43 | 179.29 |
mp-29576 | -3.424732 | -4.064349 | 0.730068 | other | Cd14P20 | 34 | 43 | 744.03 |
mp-13841 | 8.493059 | 2.070035 | -0.701457 | other | Ir2F8 | 10 | 43 | 127.18 |
mp-1105092 | -3.48435 | -4.264909 | 0.612703 | other | Eu6P8 | 14 | 43 | 333.81 |
mp-1094937 | -7.429639 | -7.016489 | 2.402914 | other | Mg1Cd3 | 4 | 44 | 85.13 |
mp-1184342 | -5.582189 | -7.324103 | 4.045085 | other | Eu3Mg1 | 4 | 44 | 150.94 |
mp-1217678 | -4.885993 | -4.271134 | 6.03526 | other | Tb2Si3 | 5 | 44 | 107.79 |
mp-1039426 | -7.281542 | -10.7934 | 4.939668 | other | Mg3Cd1 | 4 | 44 | 86.45 |
mp-600091 | 15.640062 | 5.664134 | 0.377699 | other | Si18O36 | 54 | 44 | 1,020.78 |
mp-1103952 | -6.650176 | -4.832891 | 6.070993 | other | Nd3Al12 | 15 | 44 | 309.71 |
mp-1094172 | -6.938659 | -6.533619 | 6.352576 | other | La3Mg1 | 4 | 44 | 136.58 |
mp-974981 | -3.928128 | -7.039098 | 1.775539 | other | Rb3Mg1 | 4 | 44 | 272.17 |
mp-1094608 | -7.245803 | -10.800405 | 5.161951 | other | Mg6Ga2 | 8 | 44 | 163.77 |
mp-1080194 | 0.568911 | 2.128007 | 1.943873 | other | Re3N5 | 8 | 44 | 119.51 |
mp-29953 | -3.484858 | 1.833434 | 2.878124 | other | Na2B29 | 31 | 44 | 250.44 |
mp-603640 | -4.741359 | -4.865535 | 0.233709 | other | Ga1As1 | 2 | 44 | 38.73 |
mp-1223125 | -4.91913 | -4.34403 | 6.050337 | other | La2Si3 | 5 | 44 | 125.9 |
mp-1094297 | -4.912133 | -7.501437 | 3.529703 | other | Sr3Mg1 | 4 | 44 | 186.12 |
mp-1103934 | -6.654082 | -4.876101 | 5.985666 | other | Pr3Al12 | 15 | 44 | 313.64 |
mp-684609 | 3.281675 | 2.67171 | -4.20237 | other | H1Cl1 | 2 | 44 | 53.07 |
mp-1094449 | -7.264362 | -6.791943 | 6.820531 | other | Y3Mg1 | 4 | 44 | 121.36 |
mp-1094591 | -5.806565 | -7.06704 | 3.446856 | other | Li3Mg1 | 4 | 44 | 81.4 |
mp-30738 | -8.249589 | -2.268225 | 3.756465 | other | Li1Ir3 | 4 | 44 | 54.67 |
mp-1185883 | -7.470866 | -7.480884 | 1.909584 | other | Mg1Hg3 | 4 | 44 | 95.03 |
mp-1224840 | -6.033022 | -3.406061 | -2.243312 | other | Ga2Te3 | 5 | 44 | 170.51 |
mp-1094395 | -7.782017 | -9.760235 | 6.645848 | other | Mg3Ti1 | 4 | 44 | 84.74 |
mp-1218710 | -3.970567 | -5.542668 | 5.404777 | other | Sr2Si3 | 5 | 44 | 138.05 |
mp-554946 | 15.57588 | 5.668582 | 0.33415 | other | Si48O96 | 144 | 44 | 2,803.11 |
mp-1039198 | -6.990902 | -9.445124 | 2.749631 | other | Mg3Bi1 | 4 | 44 | 100.62 |
mp-1094513 | -5.770663 | -5.394064 | 0.459969 | other | Mg1Sb3 | 4 | 44 | 104.55 |
mp-1219481 | 9.920974 | 10.043279 | -0.81061 | other | Sb6O13 | 19 | 44 | 272.89 |
mp-1225805 | -5.505404 | -3.000482 | -4.581691 | other | Cu2Se1 | 3 | 44 | 51.8 |
mp-1105076 | -6.774279 | -4.669578 | 5.88945 | other | Ce3Al12 | 15 | 44 | 309.85 |
mp-1094430 | -8.962276 | -6.360084 | 3.41629 | other | Mg1Zn3 | 4 | 44 | 66.5 |
mp-1094330 | -5.276877 | -3.033295 | 4.021075 | other | Mg1Ti3 | 4 | 44 | 72.31 |
mp-1094302 | -6.224853 | -10.804747 | 5.890614 | other | Sr1Mg3 | 4 | 44 | 120.82 |
mp-569851 | -4.821234 | -4.211629 | 6.160813 | other | Ho10Si17 | 27 | 44 | 523.47 |
mp-1094519 | -7.020998 | -10.771934 | 4.566884 | other | Mg3Sn1 | 4 | 44 | 94.4 |
mp-1225291 | -4.864802 | -4.299843 | 6.125823 | other | Dy2Si3 | 5 | 44 | 106.7 |
mp-1221354 | 15.087327 | 5.757833 | 0.115126 | other | Si48O107 | 155 | 44 | 3,697.18 |
mp-1094411 | -7.878685 | -9.566885 | 6.890915 | other | Y1Mg3 | 4 | 44 | 103.72 |
mp-1223265 | -6.97515 | -4.683621 | 5.464314 | other | La2Ge3 | 5 | 44 | 132.1 |
mp-1181272 | 6.872149 | 6.208249 | -3.899538 | other | In4O12 | 16 | 44 | 238.71 |
mp-1039033 | -6.537324 | -10.539896 | 5.990679 | other | Ca1Mg3 | 4 | 44 | 108.36 |
mp-1223866 | -6.102428 | -3.456609 | -2.072183 | other | In2Te3 | 5 | 44 | 193.51 |
mp-1225258 | -4.249317 | -5.252146 | 5.381532 | other | Eu3Si4 | 7 | 44 | 165.66 |
mp-1094427 | -7.403999 | -11.007498 | 5.232882 | other | Mg3Zn1 | 4 | 44 | 81.81 |
mp-1104765 | -6.624426 | -4.939211 | 5.968226 | other | La3Al12 | 15 | 44 | 319.61 |
mp-1185869 | -5.67632 | -5.433109 | 3.200676 | other | Mg1Ge3 | 4 | 44 | 80.49 |
mp-973320 | -6.672863 | -6.709982 | 2.726745 | other | Mg1In3 | 4 | 44 | 103.61 |
mp-998913 | 6.828061 | 5.920645 | -3.829194 | other | K1O3 | 4 | 44 | 78.21 |
mp-684597 | -5.834591 | -5.641654 | 0.757378 | other | In1Sb1 | 2 | 44 | 56.97 |
mp-1228983 | -8.943911 | -6.090209 | 3.457241 | other | Cs1Zn8 | 9 | 44 | 179.77 |
mp-1001787 | -8.557405 | -2.187367 | 3.538781 | original | Li1Rh3 | 4 | 44 | 53.06 |
mp-1094202 | -6.553604 | -6.186172 | 2.086068 | other | Mg1Sn3 | 4 | 44 | 104.02 |
mp-1220308 | -5.006388 | -4.330021 | 6.158835 | other | Nd2Si3 | 5 | 44 | 118.15 |
mp-1219825 | -7.753688 | -1.642866 | 2.485311 | other | Ni7Ge4 | 11 | 44 | 135.68 |
mp-29184 | -5.85042 | -0.833917 | 2.42134 | other | Cr12P6 | 18 | 44 | 211.88 |
mp-1224995 | -6.756008 | -2.442575 | 1.11867 | other | Fe5Sb4 | 9 | 44 | 149.91 |
mp-1094596 | -7.015885 | -11.048266 | 5.602612 | other | Li1Mg3 | 4 | 44 | 86.61 |
mp-1954 | 3.837679 | 2.789271 | 0.655925 | other | P3N5 | 8 | 44 | 77.07 |
mp-1223831 | -3.7651 | -1.273539 | -5.836142 | original | In2S3 | 5 | 44 | 133.95 |
mp-974455 | -5.867038 | -0.861166 | 3.826753 | other | Re3Ru1 | 4 | 44 | 57.94 |
mp-569825 | -4.783056 | -4.27135 | 6.12726 | other | Dy10Si17 | 27 | 44 | 530.51 |
mp-1077506 | 3.23405 | 2.607453 | 0.365002 | other | B3N3 | 6 | 44 | 39.62 |
mp-1223930 | -4.887274 | -4.244066 | 6.105331 | other | Ho2Si3 | 5 | 44 | 105.28 |
mp-1182172 | 5.867133 | 2.517231 | -3.464691 | other | C3N4 | 7 | 44 | 63.26 |
mp-1094538 | -7.15678 | -11.102139 | 4.154448 | other | Mg3Sb1 | 4 | 44 | 93.84 |
mp-1226801 | -5.009114 | -4.433073 | 5.943609 | other | Ce2Si3 | 5 | 44 | 113.12 |
mp-971648 | -3.337517 | -4.077026 | 0.53224 | other | Ga1P1 | 2 | 44 | 33.59 |
mp-22464 | 6.859399 | 5.898106 | -3.755419 | other | Na1O3 | 4 | 44 | 55.67 |
mp-1039411 | -5.106613 | -7.363538 | 3.872776 | other | Ca3Mg1 | 4 | 44 | 147.87 |
mp-1228488 | -5.546504 | -6.287405 | 3.682628 | other | Ba2Ge3 | 5 | 44 | 165.57 |
mp-1219840 | -4.983132 | -4.318491 | 6.143674 | other | Pr2Si3 | 5 | 44 | 120.91 |
mp-978279 | -7.745748 | -10.823384 | 5.363536 | other | Mg3Cu1 | 4 | 44 | 73.89 |
mp-865611 | -8.367602 | -2.428429 | 3.589539 | other | Mg1Rh3 | 4 | 44 | 56.61 |
mp-1038902 | -6.436453 | -5.965935 | 5.637021 | other | Ce3Mg1 | 4 | 44 | 108.32 |
mp-1077743 | 5.616787 | 2.135605 | -2.663068 | other | B1C5 | 6 | 44 | 36.13 |
mp-1001790 | 6.864399 | 5.681011 | -3.678547 | other | Li1O3 | 4 | 44 | 42.83 |
mp-1185968 | -7.525903 | -5.644948 | 5.262675 | other | Mg1Sc3 | 4 | 44 | 97.3 |
mp-1224809 | -4.800458 | -2.667088 | -3.964153 | other | Ga2Se3 | 5 | 44 | 126.55 |
mp-1225811 | -4.78767 | -1.711161 | -5.785746 | other | Cu2S1 | 3 | 44 | 45.76 |
mp-1094660 | -6.347509 | -5.627759 | 3.715789 | other | Mg1Ga3 | 4 | 44 | 72.88 |
mp-1102044 | -8.877392 | -0.279015 | 4.876679 | other | La2Co10 | 12 | 44 | 175.4 |
mp-640566 | -4.391524 | -5.226415 | 5.57954 | other | Yb8Si11 | 19 | 44 | 419.23 |
mp-568793 | -5.419583 | -7.189235 | 3.890486 | other | Ca28Ga11 | 39 | 44 | 1,199.58 |
mp-705522 | -5.306226 | -7.300069 | 3.553471 | other | Sr28In11 | 39 | 44 | 1,614.62 |
mp-1224796 | -3.962412 | -1.378209 | -5.827809 | other | Ga2S3 | 5 | 44 | 109.38 |
mp-1094814 | -7.743343 | -9.232472 | 6.382905 | other | Ce1Mg3 | 4 | 44 | 109.61 |
mp-849098 | -4.545881 | 0.098265 | -4.689646 | other | V1S2 | 3 | 47 | 283.43 |
mp-1217351 | -9.366169 | -5.901686 | 4.097241 | other | Th1Zn11 | 12 | 47 | 208.51 |
mp-1226724 | -5.766775 | -5.764652 | 0.631362 | other | Cd1Sb1 | 2 | 47 | 55.12 |
mp-705439 | 6.523147 | 5.844303 | -3.827703 | other | Cu1O2 | 3 | 47 | 110.3 |
mp-1103318 | -6.223393 | -1.275331 | 3.793703 | other | Mo1W11 | 12 | 47 | 253.5 |
mp-1080294 | -4.328666 | -4.685904 | -3.412121 | other | Ce1Se2 | 3 | 47 | 648.03 |
mp-990076 | 11.947305 | 7.316404 | -6.076873 | other | P2O5 | 7 | 47 | 59.86 |
mp-1219045 | -6.633572 | -6.310884 | 2.106833 | other | Sn3Pb1 | 4 | 47 | 117.73 |
mp-1229228 | -4.10164 | -4.935845 | 5.670061 | other | Ba20Si138 | 158 | 47 | 3,340.16 |
mp-1212332 | -2.979836 | -8.415428 | 1.096999 | other | In1Sb2 | 3 | 47 | 4,324.91 |
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