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-1246964 | 5.079268 | 2.343299 | -3.170663 | other | Pt1C1N2 | 4 | 166 | 46.21 |
mp-1229019 | -3.708949 | -1.440221 | -5.232727 | original | Ag1Sb1S2 | 4 | 166 | 86.42 |
mp-10442 | -5.470854 | -4.199732 | 0.57874 | other | Eu1Cu4As2 | 7 | 166 | 113.66 |
mp-1190849 | -8.521968 | 0.022499 | 4.014284 | other | Sm2Co17N3 | 22 | 166 | 255.84 |
mp-510696 | -5.784572 | -6.334692 | 1.387897 | other | Cs4Sn2Au7 | 13 | 166 | 411.81 |
mp-1044218 | 12.997759 | 10.92022 | -0.355367 | other | Ca1Mo4O8 | 13 | 166 | 198.37 |
mp-1054609 | -3.378705 | -1.607149 | -5.640368 | other | Ca3Sn3S9 | 15 | 166 | 387.99 |
mp-757070 | -1.17664 | 1.896329 | -1.727322 | other | Ba1Ca1I4 | 6 | 166 | 265 |
mp-756552 | 5.861021 | 12.603728 | -1.535882 | other | Mg1Ni4O8 | 13 | 166 | 139.31 |
mp-8608 | -5.485391 | -4.340595 | 0.597215 | other | K1Cu4As2 | 7 | 166 | 124.72 |
mp-754992 | 10.072348 | 8.604824 | 2.785929 | other | Lu1Tl1O2 | 4 | 166 | 65.36 |
mp-2240720 | 7.072712 | 9.532207 | -1.638575 | other | Mg1Ag4O6 | 11 | 166 | 179.05 |
mp-1404017 | -5.388696 | -0.08194 | -5.662725 | other | Zn1Cr4S8 | 13 | 166 | 236.52 |
mp-1246842 | 0.877111 | 2.634144 | 1.780427 | other | Mn1Cd2N2 | 5 | 166 | 70.97 |
mp-4326 | -2.676009 | -2.668436 | -5.704898 | other | K1Er1S2 | 4 | 166 | 100.96 |
mp-1215219 | -3.393757 | -0.177097 | 2.848491 | other | Zr1Ta1C2 | 4 | 166 | 48.02 |
mp-1215389 | -2.581822 | 0.054813 | 2.811229 | other | Zr4C3N1 | 8 | 166 | 102.84 |
mp-556943 | 9.168348 | 0.328449 | 0.704612 | other | Cs3Co3F9 | 15 | 166 | 247.28 |
mp-1219663 | -2.778532 | -0.232656 | 2.674992 | other | Pu1Zr4C5 | 10 | 166 | 135.7 |
mp-755389 | 9.756996 | 8.739742 | 2.053559 | other | Ca1Eu1O2 | 4 | 166 | 61.32 |
mp-1174157 | 6.078913 | 20.898155 | -0.391667 | other | Li6Mn4O10 | 20 | 166 | 191.6 |
mp-1224394 | 1.100226 | 1.29965 | 2.678535 | other | Hf1U1N2 | 4 | 166 | 52.02 |
mp-570487 | -5.62422 | -6.183084 | 3.979737 | other | Ca20Al12Ge18 | 50 | 166 | 1,190.84 |
mp-1218389 | -3.624484 | -2.424364 | -4.923709 | other | Sr4Se3S1 | 8 | 166 | 240.69 |
mp-16763 | -5.876525 | -3.795701 | -1.815614 | other | K1Y1Te2 | 4 | 166 | 142.93 |
mp-7480 | 9.73169 | 8.521775 | 3.006052 | other | Rb1Lu1O2 | 4 | 166 | 63.94 |
mp-758809 | 7.708581 | 14.115298 | -1.328657 | other | Li5Mn6O16 | 27 | 166 | 285.42 |
mp-569178 | -4.295553 | -3.979274 | -3.89244 | other | Ho1Tl1Se2 | 4 | 166 | 115.25 |
mp-1224274 | -3.217851 | -0.105359 | 2.803634 | other | Hf1Ti1C2 | 4 | 166 | 45.58 |
mp-19210 | 7.174809 | 13.455823 | -1.670306 | other | Co4Pt4O8 | 16 | 166 | 164.17 |
mp-1101377 | 12.010315 | 5.975579 | -0.086395 | other | Sc1H1O2 | 4 | 166 | 41.02 |
mp-1190514 | -7.820378 | 0.759281 | 4.854635 | other | Sm2Fe17H3 | 22 | 166 | 262.07 |
mp-1217103 | -3.538599 | -0.009813 | 2.881889 | other | Ti4C3N1 | 8 | 166 | 80.01 |
mp-510625 | 11.03586 | 13.305381 | -0.27375 | other | Cr2Cu2O4 | 8 | 166 | 87.49 |
mp-21312 | -8.723251 | -0.182344 | 2.409124 | other | Ca1Ni12B6 | 19 | 166 | 188.8 |
mp-1218952 | -3.365544 | -1.904539 | -5.715002 | other | Sn1Pb1S2 | 4 | 166 | 104.34 |
mp-1222697 | -2.8868 | -3.720392 | -3.562004 | other | La1Sm1S2 | 4 | 166 | 96.11 |
mp-1077980 | -6.237648 | -5.826281 | 1.028259 | other | Sr1Ag4Sb2 | 7 | 166 | 164.98 |
mp-28772 | 2.164143 | 2.765836 | -4.425455 | other | Sb2S2Cl18 | 22 | 166 | 606.78 |
mp-27837 | 9.111953 | 1.639794 | -0.47309 | other | Na1H1F2 | 4 | 166 | 45.61 |
mp-756159 | 7.0165 | 13.197535 | -1.131571 | other | Li3Ni5O8 | 16 | 166 | 141.51 |
mp-569677 | 0.937079 | 2.090356 | -1.737274 | other | Sr2I1N1 | 4 | 166 | 108.64 |
mp-771644 | 7.584455 | 12.289269 | -0.847668 | other | Li3Cu5O8 | 16 | 166 | 143.85 |
mp-1225798 | -0.058141 | 1.66765 | -4.622241 | other | Cu2Br1Cl1 | 4 | 166 | 72.13 |
mp-1029375 | 4.473407 | 1.860201 | -2.368195 | other | Ba1C1N2 | 4 | 166 | 83.04 |
mp-1215444 | -3.913079 | -4.200674 | -3.707921 | other | Yb1Pr1Se2 | 4 | 166 | 105.98 |
mp-9926 | 8.55602 | 1.456378 | -0.407427 | other | Sr1Rh1F6 | 8 | 166 | 104.26 |
mp-1218978 | -2.993626 | -3.826379 | -3.316315 | other | Sm1Tm1S2 | 4 | 166 | 84.91 |
mp-608823 | -4.830235 | -0.912503 | -5.292392 | other | Ga2Fe2S5 | 9 | 166 | 171.79 |
mp-559918 | -4.195631 | -0.265119 | -4.755208 | other | Ti8Cu4S16 | 28 | 166 | 490.47 |
mp-27438 | -6.013408 | -3.742365 | -2.08751 | other | Tl1Bi1Te2 | 4 | 166 | 142.96 |
mp-1100884 | -4.708137 | -1.019314 | -5.248601 | other | Y6Mn11S20 | 37 | 166 | 766.94 |
mp-1215708 | -5.648572 | -4.040825 | 1.146126 | other | Y1U1Sb2 | 4 | 166 | 122.18 |
mp-1077950 | -5.845123 | -3.514759 | -1.262376 | other | Tl2Pd3S2 | 7 | 166 | 141.79 |
mp-759883 | 7.905958 | 2.582162 | 1.025169 | other | Bi2O2F2 | 6 | 166 | 91.58 |
mp-1222701 | -2.945013 | -3.805295 | -3.494116 | other | La1Tm1S2 | 4 | 166 | 90.02 |
mp-613910 | 9.217134 | 0.909551 | -0.514848 | other | Ba1Ni1F6 | 8 | 166 | 107.75 |
mp-752854 | 6.887081 | 13.148264 | -2.258342 | other | Co3Sb1O8 | 12 | 166 | 141.56 |
mp-1222339 | -8.288578 | -1.979098 | 5.383423 | other | Lu2Al1Co3 | 6 | 166 | 89.43 |
mp-1191788 | -8.622755 | 0.009885 | 4.112448 | other | Sm2Co17H3 | 22 | 166 | 250.14 |
mp-1217687 | -7.353023 | -2.300716 | 6.29164 | other | Tb2Al3Fe1 | 6 | 166 | 115.15 |
mp-1104122 | -4.067571 | 1.569719 | 2.998591 | other | La4Co3B6 | 13 | 166 | 190.6 |
mp-1223922 | -5.397367 | -3.279141 | -2.984586 | other | Hg2Te1Se1 | 4 | 166 | 106.79 |
mp-996967 | 7.409511 | 9.707442 | -1.181252 | other | Tl1Cu1O2 | 4 | 166 | 64.01 |
mp-1224333 | 2.635945 | -0.260258 | -1.714966 | other | Hf2H1C1 | 4 | 166 | 48.58 |
mp-1100799 | 2.065021 | 1.875088 | 2.159245 | other | Zr3Sc4N8 | 15 | 166 | 191.47 |
mp-1104597 | -3.844451 | 1.614071 | 3.005038 | other | Y4Co3B6 | 13 | 166 | 180.91 |
mp-755464 | 11.234196 | 8.463279 | 2.743817 | other | Ce2Br2O2 | 6 | 166 | 139.96 |
mp-4483 | -4.439006 | -2.396997 | -3.569718 | other | Ag1As1Se2 | 4 | 166 | 87.76 |
mp-1072208 | 8.698796 | 2.03806 | 2.478 | other | Dy2O2F2 | 6 | 166 | 78.16 |
mp-1080457 | 2.031671 | 2.906064 | -0.027776 | other | K2Sn1N6 | 9 | 166 | 185.1 |
mp-1395253 | -4.701371 | 0.147743 | -4.845816 | other | Ca1V4S8 | 13 | 166 | 253.58 |
mp-1202101 | -5.321812 | 0.315082 | 3.553582 | other | Ce8Re13B12 | 33 | 166 | 478.06 |
mp-1410408 | -5.422126 | -0.571122 | -4.237826 | other | Ca1Co4S8 | 13 | 166 | 230.56 |
mp-510281 | 8.192933 | 13.389065 | -1.221248 | other | Fe1Cu1O2 | 4 | 166 | 40.44 |
mp-31166 | -2.792821 | -2.531801 | -5.723364 | other | Dy1Tl1S2 | 4 | 166 | 104.49 |
mp-1215456 | -3.975191 | -4.25092 | -3.521752 | other | Yb1Er1Se2 | 4 | 166 | 96.66 |
mp-1077883 | -7.364843 | -2.668097 | 1.577487 | other | In2Rh3S2 | 7 | 166 | 124.99 |
mp-1186878 | 11.366917 | 10.966415 | -3.90391 | other | Ta2Mo2O11 | 15 | 166 | 236.7 |
mp-2695851 | 9.019713 | 8.768369 | -0.982192 | other | Cd1Hg1O2 | 4 | 166 | 69.73 |
mp-754542 | -4.990023 | -0.026591 | -5.171825 | other | Li1V1S2 | 4 | 166 | 63.63 |
mp-1096789 | -4.185626 | -1.419511 | -6.014947 | other | Al2Zn2S5 | 9 | 166 | 176.36 |
mp-1078223 | -6.416798 | -5.821421 | 1.102042 | other | Eu1Ag4Sb2 | 7 | 166 | 159.84 |
mp-1387459 | -3.918464 | -0.160402 | -4.527973 | other | Ti4Zn1S8 | 13 | 166 | 244.25 |
mp-1222119 | -8.198907 | -4.569188 | 4.988603 | other | Mg6Al6Cu6 | 18 | 166 | 296.49 |
mp-1215512 | -2.819227 | -2.883475 | -5.187261 | other | Yb4Sm1S5 | 10 | 166 | 226.12 |
mp-1398091 | 12.707861 | 9.885341 | 0.597308 | other | Y2W4O8 | 14 | 166 | 203.11 |
mp-1216047 | -3.08231 | -3.900661 | -4.006405 | other | Y2As1S1 | 4 | 166 | 91.69 |
mp-755426 | 11.81162 | 8.797928 | 1.723383 | other | Nd1Sm1O2 | 4 | 166 | 63.1 |
mp-12360 | -5.85089 | -3.43733 | -2.141223 | other | Ag1Sb1Te2 | 4 | 166 | 115.38 |
mp-1226488 | 10.178788 | 9.333924 | 3.655721 | other | Ce1Zr1O4 | 6 | 166 | 74.95 |
mp-1177246 | 11.409184 | 13.774169 | -1.331405 | other | Li4V3O8 | 15 | 166 | 152.01 |
mp-1217822 | -4.068507 | -0.180478 | 2.956024 | other | Ta1V1C2 | 4 | 166 | 40.85 |
mp-1220714 | -2.629115 | -2.661907 | -5.579274 | other | Na1La1S2 | 4 | 166 | 101.91 |
mp-28865 | 2.054643 | 2.81625 | -4.348631 | other | Os1S2Cl12 | 15 | 166 | 529.25 |
mp-1223850 | 0.975314 | 1.534552 | 2.62488 | other | Hf2C1N1 | 4 | 166 | 47.89 |
mp-997051 | 7.719913 | 10.904874 | -0.914534 | other | Pd1Au1O2 | 4 | 166 | 54.25 |
mp-10969 | 4.871839 | 2.072973 | -2.697488 | other | Cd1C1N2 | 4 | 166 | 53.24 |
mp-859783 | 14.916267 | 12.396213 | -0.823372 | other | V2O2F2 | 6 | 166 | 74.02 |
mp-1222795 | 2.311192 | 1.691724 | 1.919641 | other | La1Nd1N2 | 4 | 166 | 71.44 |
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