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-1263094 | -2.896099 | -5.248991 | 6.851803 | other | Mg8Si16 | 24 | 26 | 402.86 |
mp-1284510 | 11.909832 | 13.618869 | -2.314638 | other | V8O16 | 24 | 26 | 279.21 |
mp-560030 | 8.478941 | 0.998144 | 1.739322 | other | Ca2F4 | 6 | 26 | 88 |
mp-1215880 | -5.525793 | -2.876182 | 2.765819 | other | Zr32As20 | 52 | 26 | 1,098.57 |
mp-1094400 | -4.315812 | -3.740629 | 4.5674 | other | Mg6Ti6 | 12 | 26 | 234.08 |
mp-1279995 | 9.132129 | 14.878651 | -0.433353 | other | Mn12O16 | 28 | 26 | 298.82 |
mp-1206587 | 6.71547 | 6.540984 | -3.504878 | other | Eu2O6 | 8 | 26 | 103.37 |
mp-1094269 | -6.177742 | -4.282192 | 3.216377 | other | Zr6Sn6 | 12 | 26 | 280 |
mp-1181813 | 9.744961 | 13.113078 | -0.812384 | other | Fe24O32 | 56 | 26 | 641.07 |
mp-1096430 | -4.191168 | -3.929322 | -3.273345 | other | Ce8Se16 | 24 | 26 | 639.63 |
mp-1094347 | -4.315873 | -3.756804 | 4.563767 | other | Mg6Ti6 | 12 | 26 | 234.72 |
mp-1206655 | 6.85282 | 7.188553 | -3.397568 | other | Ba2O6 | 8 | 26 | 134.77 |
mp-1220618 | -5.27541 | -2.254221 | 2.549713 | other | Nb32P20 | 52 | 26 | 868.26 |
mp-715275 | 9.470051 | 13.243987 | -0.758635 | other | Fe12O16 | 28 | 26 | 289.69 |
mp-560882 | 9.142947 | 7.367646 | -3.501474 | other | Se4O8 | 12 | 26 | 174.68 |
mp-1206311 | 6.761096 | 6.019856 | -3.345189 | other | Sr2O6 | 8 | 26 | 109.7 |
mp-1343531 | 6.280428 | 9.02385 | -1.226366 | other | Bi8O16 | 24 | 26 | 439.6 |
mp-27411 | -3.384958 | -3.881775 | 0.529179 | other | Tl4P20 | 24 | 26 | 569.88 |
mp-1078944 | -3.288842 | -2.080029 | -5.578187 | other | Pb4S4 | 8 | 28 | 270.21 |
mp-715035 | 12.094394 | 13.438256 | -2.534644 | other | V16O32 | 48 | 28 | 574.56 |
mp-1095646 | 3.093338 | -0.386006 | -1.923707 | other | H10W2 | 12 | 28 | 67.8 |
mp-20123 | -5.843202 | -2.924228 | -1.967298 | other | Te16Au8 | 24 | 28 | 677.94 |
mp-1205384 | -5.888083 | -3.713792 | -1.340716 | other | La4Te8 | 12 | 28 | 390.13 |
mp-28180 | 8.245878 | 2.036822 | -0.520565 | other | Sb32F120 | 152 | 29 | 2,508.57 |
mp-680333 | -4.49301 | -2.72245 | -3.513862 | other | Ge16Se36 | 52 | 29 | 1,634.04 |
mp-568251 | -5.536451 | -1.709235 | -3.196294 | other | Ni48Se40 | 88 | 29 | 1,378.89 |
mp-1271276 | 2.01759 | 2.161862 | 1.397558 | other | Sb4N4 | 8 | 29 | 165.27 |
mp-1080297 | -4.278618 | -4.167887 | -3.397658 | other | Ce4Se8 | 12 | 29 | 340.89 |
mp-685097 | 10.886967 | 9.800549 | 3.832474 | other | Hf4O8 | 12 | 29 | 131.46 |
mp-569461 | 5.019841 | 3.332665 | -3.52145 | other | Hg4N24 | 28 | 29 | 480.54 |
mp-1207466 | 3.633971 | -0.552743 | -2.728545 | other | Zn4H24 | 28 | 29 | 559.55 |
mp-1229002 | -3.122895 | -1.066679 | -4.818176 | other | As32S32 | 64 | 29 | 1,548.05 |
mp-569051 | 3.479652 | -0.719052 | -2.473047 | other | Mg4H8 | 12 | 29 | 107.08 |
mp-550714 | 9.511423 | 8.081332 | -1.262022 | other | Pb4O4 | 8 | 29 | 188 |
mp-1207544 | -6.312529 | -5.764265 | 3.593922 | other | Zn8Ge8 | 16 | 29 | 383.9 |
mp-27465 | -2.163 | -0.190091 | -4.981201 | other | S32O4 | 36 | 29 | 905.34 |
mp-556605 | 10.813134 | 9.890519 | 3.961479 | other | Zr4O8 | 12 | 29 | 136.77 |
mp-1213206 | -3.375721 | -3.872529 | 0.468978 | other | Cs4P28 | 32 | 29 | 867.18 |
mp-639733 | 15.590897 | 5.676742 | 0.38003 | other | Si24O48 | 72 | 29 | 1,321.84 |
mp-1120783 | 5.932495 | 3.177929 | -2.899479 | other | Al30C30 | 60 | 3 | 1,959.74 |
mp-685007 | -5.893736 | -3.72602 | -1.485747 | other | Tb20Te36 | 56 | 3 | 2,254.26 |
mp-1015567 | 0.680248 | 3.104549 | 1.511128 | other | Cr4N8 | 12 | 3 | 174.32 |
mp-581967 | 11.001222 | 11.915251 | 2.722955 | other | Nb28O70 | 98 | 3 | 1,436.93 |
mp-1258196 | 15.639613 | 5.626723 | 0.358065 | other | Si34O68 | 102 | 3 | 1,905.01 |
mp-1215897 | -9.580947 | -4.87108 | 3.19463 | other | Zn53Co7 | 60 | 3 | 808.53 |
mp-556376 | 14.205564 | 6.157464 | -0.516889 | other | Si4O8 | 12 | 3 | 147.64 |
mp-850249 | -4.890136 | -0.865658 | -4.524022 | other | Fe8S10 | 18 | 3 | 629.61 |
mp-567269 | -1.115007 | 2.211643 | -3.116324 | other | Te8I32 | 40 | 31 | 1,822.56 |
mp-22693 | -9.330851 | 1.715721 | -3.973581 | other | Te8W4 | 12 | 31 | 332.76 |
mp-570506 | -0.873811 | 1.574423 | -2.22218 | other | Zr4I8 | 12 | 31 | 407.63 |
mp-1120742 | 5.522552 | 2.883633 | -3.761877 | other | S6N4 | 10 | 31 | 916.85 |
mp-754071 | 6.316624 | 8.757554 | -1.482074 | other | Pb4O6 | 10 | 31 | 153.11 |
mp-1198336 | -7.163352 | -2.526011 | 5.929299 | other | Al78Co24 | 102 | 31 | 1,447.71 |
mp-1217632 | -5.442731 | -3.920998 | 3.292127 | other | U16Pb6 | 22 | 31 | 543.46 |
mp-1285335 | 11.913403 | 13.61569 | -2.312202 | other | V8O16 | 24 | 31 | 278.75 |
mp-545552 | 11.081509 | 9.067192 | 0.315187 | other | Sn2O2 | 4 | 31 | 80.37 |
mp-1430706 | 0.303115 | 2.094787 | 2.301399 | other | W2N2 | 4 | 31 | 41.3 |
mp-1189633 | -3.587832 | -1.408031 | -5.11271 | other | Sb8S12 | 20 | 31 | 530.53 |
mp-999317 | 0.368167 | 2.201506 | 1.957447 | other | Os2N2 | 4 | 31 | 44.33 |
mp-1188318 | 4.09794 | -0.392734 | -2.655898 | other | Si2H16 | 18 | 31 | 233.55 |
mp-1147708 | -2.681187 | -0.410181 | -4.99244 | other | P4S6 | 10 | 31 | 1,257.33 |
mp-684653 | -5.512685 | -2.937284 | -4.581669 | other | Cu4Se2 | 6 | 31 | 101.32 |
mp-1120744 | 5.594018 | 2.95273 | -3.780367 | other | S6N4 | 10 | 31 | 194.89 |
mp-553945 | 15.567223 | 5.66361 | 0.337646 | other | Si32O64 | 96 | 31 | 1,869.18 |
mp-1394209 | 12.353921 | 10.810259 | -1.405263 | other | W4O10 | 14 | 32 | 226.21 |
mp-285 | 10.918768 | 10.798947 | -3.54303 | other | Mo34O94 | 128 | 32 | 1,785.46 |
mp-1218177 | -6.270015 | -2.030436 | 4.029836 | other | Ta18Os12 | 30 | 35 | 493.9 |
mp-1229280 | -7.740408 | -6.5814 | 2.450258 | other | Cd40Ni8 | 48 | 35 | 999.61 |
mp-1220934 | -6.279849 | -1.996292 | 3.817007 | other | Nb18Os12 | 30 | 35 | 500.06 |
mp-1221719 | -6.299089 | -0.767036 | 3.670933 | other | Mo18Os12 | 30 | 35 | 465.9 |
mp-1221651 | -6.332187 | -0.700966 | 3.589554 | other | Mo18Ru12 | 30 | 35 | 458.87 |
mp-1173794 | -5.282709 | -7.235061 | 2.835183 | other | Na18O3 | 21 | 35 | 744.36 |
mp-655656 | 10.990143 | 12.19151 | 2.089783 | other | Ti4O8 | 12 | 35 | 378.63 |
mp-1191069 | 13.111917 | 10.001323 | 0.192912 | other | W11O12 | 23 | 35 | 367.3 |
mp-1219644 | -6.36939 | -0.647042 | 3.829168 | other | Ru12W18 | 30 | 35 | 462.66 |
mp-1215714 | -8.981862 | -5.013564 | 2.630726 | other | Zn16Pd8 | 24 | 35 | 336.99 |
mp-1227062 | -5.546121 | -7.459476 | 4.243203 | other | Ca1Yb3 | 4 | 35 | 163.62 |
mp-1219297 | -5.830608 | -0.72564 | 3.621271 | other | Re18Mo12 | 30 | 35 | 467.96 |
mp-1226444 | -6.902182 | -0.404057 | 3.805404 | other | Cr18Co12 | 30 | 35 | 335.67 |
mp-554089 | 15.41236 | 5.745519 | 0.337455 | other | Si4O8 | 12 | 33 | 176.75 |
mp-22889 | 1.583932 | 2.345096 | -5.322629 | other | Zn4Cl8 | 12 | 33 | 307.26 |
mp-28027 | 8.391534 | 2.02633 | -0.934299 | other | As4F12 | 16 | 33 | 245.11 |
mp-230 | 9.996984 | 9.945118 | -0.66389 | other | Sb8O16 | 24 | 33 | 311.28 |
mp-729728 | 6.636342 | 4.743277 | -4.673538 | other | C4O8 | 12 | 33 | 231.23 |
mp-402 | -3.412074 | -3.951511 | 0.642698 | original | Cd4P8 | 12 | 33 | 280.59 |
mp-1190691 | -2.686322 | -2.539052 | -5.513168 | other | La8S16 | 24 | 33 | 557.92 |
mp-542896 | 8.648315 | 13.216001 | -1.309316 | other | Fe16O24 | 40 | 33 | 448.02 |
mp-1196526 | -1.347712 | 1.72574 | -2.368366 | other | Nb24I44 | 68 | 33 | 2,592.99 |
mp-641661 | 8.270693 | 2.412416 | -0.724692 | other | Xe16F96 | 112 | 33 | 1,980.48 |
mp-620058 | 5.032795 | 3.231133 | -3.470547 | other | Pb12N72 | 84 | 33 | 1,296.83 |
mp-2254 | 12.564919 | 7.544209 | 0.451033 | other | Al16O24 | 40 | 33 | 358.1 |
mp-715276 | 8.415119 | 13.418767 | -1.190896 | other | Fe8O12 | 20 | 33 | 204.36 |
mp-778667 | 7.555438 | 9.670444 | -3.872603 | other | Cr4O12 | 16 | 33 | 257.27 |
mp-616204 | 1.770602 | 2.489767 | -5.094272 | other | Ga12Cl28 | 40 | 33 | 1,128.83 |
mp-754628 | 0.855465 | 2.867338 | 1.642109 | other | W4N8 | 12 | 33 | 287.77 |
mp-775837 | 10.642909 | 8.595859 | 3.260372 | other | Sc16O24 | 40 | 33 | 506.46 |
mp-771717 | 8.789699 | 14.933954 | -1.039797 | other | Mn16O24 | 40 | 33 | 450.16 |
mp-2414 | 9.14189 | 5.276549 | -5.86403 | other | S12O36 | 48 | 33 | 682.77 |
mp-29611 | 6.316761 | 0.27977 | -3.382188 | other | B40H64 | 104 | 33 | 1,050.29 |
mp-1080272 | -4.25941 | -4.990256 | -3.421995 | other | Ce4Se8 | 12 | 33 | 792.87 |
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