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-21251 | -7.805437 | -4.016451 | 5.068933 | other | U1Ga5Ni1 | 7 | 123 | 121.5 |
mp-1224508 | -6.405609 | -0.994532 | 3.825378 | other | Hf4Ru12C3 | 19 | 123 | 266.26 |
mp-1222286 | -2.638419 | -2.698058 | -5.792666 | other | Li1Er1S2 | 4 | 123 | 79.56 |
mp-1219671 | 1.399096 | 1.112733 | 2.443333 | other | Pu1U1N2 | 4 | 123 | 57.59 |
mp-1227084 | -2.574371 | -2.905237 | -5.184835 | other | Ca1Gd1S2 | 4 | 123 | 89.34 |
mp-1225506 | -7.463386 | -5.841486 | 3.383444 | other | Er1Ag1Sn2 | 4 | 123 | 92.08 |
mp-865500 | 10.172497 | 9.994523 | 3.60735 | other | Na2Hf2O5 | 9 | 123 | 124.01 |
mp-629397 | -0.100452 | 2.551534 | 1.90044 | other | Fe1Ni1N1 | 3 | 123 | 29.29 |
mp-1206248 | -6.309424 | -5.158634 | 3.83551 | other | Nd2Ge3Ir3 | 8 | 123 | 172.36 |
mp-1209707 | 11.669066 | 8.843554 | 2.546373 | other | Pu2O1F1 | 4 | 123 | 105.52 |
mp-1224993 | -7.782874 | -1.503997 | 3.042102 | other | Fe1Co1Pt2 | 4 | 123 | 52.21 |
mp-1209808 | -5.649341 | -4.822796 | 3.109462 | other | Np2I2O1 | 5 | 123 | 212.25 |
mp-19989 | -7.987309 | -5.624979 | 4.660339 | other | Ce2In8Co1 | 11 | 123 | 264.99 |
mp-1219943 | -3.551862 | -2.415976 | -5.224556 | other | Pb2Se1S1 | 4 | 123 | 112.5 |
mp-1215890 | 2.269775 | 1.676637 | 1.915176 | other | Y1Th1N2 | 4 | 123 | 64.45 |
mp-1025229 | -7.911002 | -3.227885 | 5.121566 | other | Ti1Ga5Co1 | 7 | 123 | 104.55 |
mp-1216199 | -9.046091 | -1.89457 | 3.798631 | other | Y5B4Rh15 | 24 | 123 | 367.28 |
mp-1222424 | -6.523454 | -7.39415 | 2.960925 | other | Li3Tl2Cd1 | 6 | 123 | 116.79 |
mp-753581 | 11.068224 | 8.667404 | 2.398065 | other | La1U1O4 | 6 | 123 | 83.38 |
mp-1207353 | -2.91577 | -8.14046 | 1.405085 | other | Er2Cu1Sb3 | 6 | 123 | 4,815.87 |
mp-1102778 | -8.022519 | -5.825871 | 4.655123 | other | Dy2In8Co1 | 11 | 123 | 258.96 |
mp-1218003 | -7.946344 | -1.509518 | 2.556922 | other | Ta1Al2Ni9 | 12 | 123 | 135.17 |
mp-1206792 | 0.684577 | 1.607505 | -3.225981 | other | Yb2I2F1 | 5 | 123 | 328.45 |
mp-1187277 | 10.671562 | 8.505032 | 2.698255 | other | Tb2Y2O5 | 9 | 123 | 150.82 |
mp-1207211 | 0.096931 | 2.575308 | -3.805674 | other | Tl2S1I2 | 5 | 123 | 425.97 |
mp-1228056 | -3.375726 | 1.703427 | 2.907806 | other | Ba3Na1B24 | 28 | 123 | 307.36 |
mp-20294 | -8.017564 | -5.302649 | 4.293468 | other | Ce1In5Rh1 | 7 | 123 | 166.16 |
mp-1232324 | 7.60035 | 10.168121 | -1.40347 | other | Cd1Pd2O3 | 6 | 123 | 90.38 |
mp-1224331 | -6.046586 | -3.842152 | 4.031636 | other | Hf4Ag1Pd1 | 6 | 123 | 118.4 |
mp-1221641 | -5.947765 | -1.408704 | 4.625277 | other | Mn1Fe3Si8 | 12 | 123 | 151.6 |
mp-1210387 | -5.450522 | -6.344589 | 3.326514 | other | Na2Al1Ge2 | 5 | 123 | 118.84 |
mp-1183253 | 7.04896 | 11.115768 | 0.941349 | other | Ba4Fe4O10 | 18 | 123 | 257.96 |
mp-1186924 | 12.459484 | 10.43017 | 0.25246 | other | Re2Rh2O5 | 9 | 123 | 103.22 |
mp-1225365 | -8.569956 | -4.907514 | 2.400825 | other | Eu2B1Pd6 | 9 | 123 | 152.54 |
mp-1221676 | -6.089408 | -3.168735 | -2.183967 | other | Mn1Cd1Te2 | 4 | 123 | 107.67 |
mp-1218985 | -3.540275 | 1.769272 | 2.981881 | other | Sm1Gd1B12 | 14 | 123 | 138.53 |
mp-973920 | 12.473701 | 9.576571 | 1.762968 | other | Lu2Ta2O5 | 9 | 123 | 117.41 |
mp-1221746 | -7.83369 | -5.716735 | 2.530091 | other | Mn4Hg3Au1 | 8 | 123 | 143.72 |
mp-1207189 | 0.790471 | 1.407177 | -3.403415 | other | Y2Br2O1 | 5 | 123 | 227.4 |
mp-1229085 | -6.076979 | -3.597317 | -2.053581 | other | Ag1Bi1Te2 | 4 | 123 | 121.28 |
mp-1227299 | -7.344732 | -1.056439 | 3.274441 | other | Be1Co2Ge1 | 4 | 123 | 41.84 |
mp-1206897 | -3.775594 | -3.064715 | -3.088672 | other | Pr2Se2F1 | 5 | 123 | 148.73 |
mp-1103195 | -8.019361 | -5.853714 | 4.454278 | other | Sm2In8Pd1 | 11 | 123 | 266.6 |
mp-1147649 | 3.062788 | -0.522215 | -1.774882 | other | Li1Ni1H2 | 4 | 123 | 28.92 |
mp-1120791 | 6.694902 | 10.420671 | -0.912584 | other | Na1Cu1O2 | 4 | 123 | 47.01 |
mp-1078098 | -7.669712 | -3.752173 | 5.489001 | other | U1Ga5Fe1 | 7 | 123 | 122.44 |
mp-2228926 | 11.827892 | 11.288342 | -2.153478 | other | Mg1W4O12 | 17 | 123 | 235.71 |
mp-996990 | 7.041471 | 9.402601 | -0.257859 | other | Ba1Ag1O2 | 4 | 123 | 67.85 |
mp-1023227 | -7.392611 | -10.191087 | 6.637434 | other | Ca1Hf1Mg6 | 8 | 123 | 192.95 |
mp-1215438 | -9.248653 | -3.124018 | 3.141954 | other | Zn2Cu1Ni1 | 4 | 123 | 48.21 |
mp-570863 | -7.661397 | -1.833175 | 2.865938 | other | Cr1Co1Pt2 | 4 | 123 | 55.82 |
mp-1228905 | -7.018782 | -0.673187 | 4.40862 | other | Al2Fe1Co1 | 4 | 123 | 46.19 |
mp-1103614 | -7.959375 | -5.503334 | 4.456024 | other | Ce2In8Pt1 | 11 | 123 | 272.82 |
mp-1225725 | 1.491103 | 2.165486 | 1.053988 | other | Cu6Pd1N2 | 9 | 123 | 113.4 |
mp-1207276 | -3.633192 | -3.106683 | -3.338283 | other | Sm2Se2F1 | 5 | 123 | 153 |
mp-778079 | 8.530307 | 1.284434 | 1.951282 | other | Ba1Y1F5 | 7 | 123 | 103.24 |
mp-1217022 | -8.734973 | -5.997705 | 2.709623 | other | Ti1Al1Au2 | 4 | 123 | 67.65 |
mp-1504764 | 11.993726 | 10.683471 | 0.810695 | other | Y1V1O3 | 5 | 123 | 59.63 |
mp-1077994 | -8.161228 | -4.29284 | 1.883579 | other | Si1Sn1Pd5 | 7 | 123 | 109.98 |
mp-1216857 | -7.701556 | -1.446943 | 4.689244 | other | U4B3Ru12 | 19 | 123 | 282.95 |
mp-1206502 | -5.012419 | -3.884567 | 1.712772 | other | U2Se2O1 | 5 | 123 | 113.82 |
mp-1224318 | -5.812751 | -3.50333 | -2.159928 | other | Ge1Te2Pb1 | 4 | 123 | 127.38 |
mp-1229025 | -5.837612 | -3.390887 | -2.105488 | other | Ag2Sb2Te4 | 8 | 123 | 228.85 |
mp-1221137 | -4.103083 | -2.12731 | -5.021033 | other | Na4Se1S1 | 6 | 123 | 146.44 |
mp-20911 | -8.208368 | -5.296079 | 4.311981 | other | La1In5Ir1 | 7 | 123 | 169.96 |
mp-1227050 | -3.484187 | 1.751638 | 2.978564 | other | Ca1Sm1B12 | 14 | 123 | 140.02 |
mp-1209113 | -2.431072 | -8.261902 | 1.867044 | other | Y2Ti1Ge2 | 5 | 123 | 5,527.95 |
mp-1208352 | -3.402212 | -6.760439 | 1.473707 | other | Th2P1S2 | 5 | 123 | 1,282.44 |
mp-1216537 | 0.148553 | 2.187466 | 2.353865 | other | V2C1N1 | 4 | 123 | 35.54 |
mp-1210372 | -3.636186 | -4.888035 | 0.97135 | other | Na2Zn1P2 | 5 | 123 | 122.94 |
mp-1025155 | -8.066128 | -3.759373 | 5.369309 | original | Lu1Ga5Co1 | 7 | 123 | 119.39 |
mp-1217285 | -8.179707 | -1.578477 | 2.569929 | other | Ti1Al4Ni15 | 20 | 123 | 223.2 |
mp-1219483 | -5.665328 | -1.701039 | 4.484869 | other | Re1Si4W1 | 6 | 123 | 81.06 |
mp-1217615 | -7.454299 | -5.914056 | 3.452054 | other | Tb1Ag1Sn2 | 4 | 123 | 94 |
mp-1223433 | -3.806025 | -1.90373 | -5.390354 | other | K1Bi1S2 | 4 | 123 | 105.17 |
mp-1207271 | 0.556545 | 1.805959 | -3.18259 | other | Sr2I2F1 | 5 | 123 | 427.35 |
mp-1222818 | 2.263403 | 1.622588 | 1.902757 | other | La1Gd1N2 | 4 | 123 | 68.6 |
mp-1218330 | -3.198036 | -2.118445 | -5.399196 | other | Sr1Ca1S2 | 4 | 123 | 102.81 |
mp-1216968 | -8.690722 | -2.379066 | 3.86267 | other | U5B4Rh15 | 24 | 123 | 369.75 |
mp-1077902 | -3.96594 | -8.438032 | 6.89209 | other | Li1Mg4Si2 | 7 | 123 | 135.84 |
mp-865146 | -8.013317 | -3.090117 | 2.465116 | other | Mg1As1Pt5 | 7 | 123 | 111.2 |
mp-1383064 | 10.555558 | 11.760221 | 0.005677 | other | Al1Cr1O3 | 5 | 123 | 54.57 |
mp-1219918 | 10.750392 | 8.832355 | 3.258664 | other | Pm1Pa1O4 | 6 | 123 | 80.55 |
mp-1215183 | -6.827234 | -3.498998 | 5.581362 | original | Zr1U1Al6 | 8 | 123 | 145.29 |
mp-1209649 | -2.862005 | -8.34761 | 1.379245 | other | Sm2Sb3Au1 | 6 | 123 | 3,854.24 |
mp-1207008 | -5.668643 | -5.204257 | 0.682613 | other | Li1Mn1Sb2 | 4 | 123 | 105.43 |
mp-1173831 | 11.803822 | 11.26092 | -2.096891 | other | Na8W19O57 | 84 | 123 | 1,133.8 |
mp-1228777 | -7.225372 | -0.171376 | 4.574457 | other | Al4Fe5Rh1 | 10 | 123 | 122.55 |
mp-1215460 | -8.875918 | -6.117912 | 2.406414 | other | Zn2Ag1Au1 | 4 | 123 | 65.7 |
mp-1206733 | 11.719768 | 9.182603 | 1.893862 | other | Y2O1F1 | 4 | 123 | 118.44 |
mp-1222277 | -4.399317 | -2.746747 | -3.692806 | other | Li1Sb1Se2 | 4 | 123 | 92.99 |
mp-978920 | 10.983178 | 8.370503 | 2.429516 | other | Tb2Be2O5 | 9 | 123 | 88.88 |
mp-1228973 | -6.384788 | -1.047001 | 4.064759 | other | Al3Zn1Cr8 | 12 | 123 | 152.51 |
mp-1206468 | -8.16978 | -5.400349 | 4.31765 | other | Sm1In5Rh1 | 7 | 123 | 162.69 |
mp-971724 | 12.643519 | 9.566985 | 1.385024 | other | Ti2Si2O5 | 9 | 123 | 83.29 |
mp-1221122 | -3.766573 | -1.882227 | -5.424802 | other | Na1Bi1S2 | 4 | 123 | 93.07 |
mp-1223236 | -7.9556 | -6.71812 | 5.064407 | other | La4Ce1Zn5 | 10 | 123 | 256.04 |
mp-1217891 | -6.217567 | -2.802559 | 5.550138 | other | Ta1Ti1Al6 | 8 | 123 | 124.97 |
mp-1206455 | -5.388051 | -3.637667 | 2.252573 | other | Nb2Si1Sb2 | 5 | 123 | 122.12 |
mp-1222616 | -6.925115 | -7.494149 | 2.690488 | other | Li2Tl1Hg1 | 4 | 123 | 76.58 |
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