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-542749 | -4.743408 | -1.542716 | -3.232009 | other | K4Mo6Se36 | 46 | 4 | 1,292.8 |
mp-771323 | 10.230089 | 10.545833 | 3.342038 | other | Tm8Ti8O28 | 44 | 4 | 499.69 |
mp-1193039 | -2.847741 | -2.652541 | -4.952916 | other | Ce8Cr2S14 | 24 | 4 | 570.32 |
mp-1201829 | 8.605253 | 7.904802 | -4.643457 | other | Mn8As8O40 | 56 | 4 | 753.04 |
mp-15487 | 10.864592 | 7.949714 | -2.581295 | other | Ag24Ge8O28 | 60 | 4 | 923.16 |
mp-1290650 | 15.153779 | 12.57087 | -0.851416 | other | V6O8F4 | 18 | 4 | 202.5 |
mp-754412 | 5.18904 | 11.604371 | -2.33284 | other | Fe6O10F2 | 18 | 4 | 194.35 |
mp-1224772 | 6.800974 | 4.884938 | -4.712325 | other | H16N16O48 | 80 | 4 | 843.75 |
mp-626529 | 8.808805 | 3.984318 | -4.438577 | other | H28N4O24 | 56 | 4 | 535.56 |
mp-770454 | 10.311148 | 10.93536 | 3.070512 | other | La4Ti6O18 | 28 | 4 | 398.22 |
mp-1042288 | 11.43409 | 11.14384 | -2.653068 | other | Mg2W4O14 | 20 | 4 | 340.67 |
mp-1182550 | 6.863427 | 8.763194 | -2.333307 | other | Ba4Zn2O12 | 18 | 4 | 317.25 |
mp-28348 | -4.363619 | -2.870912 | -3.438922 | other | Ba8As8Se20 | 36 | 4 | 1,093.56 |
mp-780491 | 13.075709 | 0.624357 | 1.60086 | other | Fe8O6F10 | 24 | 4 | 291.57 |
mp-770579 | -1.207116 | 2.11068 | -2.379377 | other | La4Mg4I20 | 28 | 4 | 1,619.94 |
mp-1213061 | 8.523687 | 1.262544 | 1.4196 | other | Er2Hf2F14 | 18 | 4 | 264.37 |
mp-625890 | 9.027007 | 5.13276 | -4.074832 | other | H20I4O24 | 48 | 4 | 458.99 |
mp-780854 | 5.149835 | 11.365748 | -2.292729 | other | Fe8O14F2 | 24 | 4 | 258.33 |
mp-771652 | 11.365129 | 11.331309 | 1.278764 | other | Ti8Sb8O28 | 44 | 4 | 579.37 |
mp-1042313 | 11.470337 | 11.095107 | -2.582287 | other | Ca2W4O14 | 20 | 4 | 407.76 |
mp-755255 | 9.411969 | 0.913555 | -0.695848 | other | Cu6O2F10 | 18 | 4 | 206.98 |
mp-1223061 | 6.366757 | 5.853518 | -4.607681 | other | La2N2O10 | 14 | 4 | 216.3 |
mp-1211385 | 8.388787 | 1.299867 | 1.447193 | other | La2Zr2F14 | 18 | 4 | 309.4 |
mp-23544 | 9.384081 | 8.265169 | -0.435431 | other | Bi16Br8O20 | 44 | 4 | 893.58 |
mp-675801 | 1.634304 | 2.560842 | -4.775794 | other | K2Nb2Cl12 | 16 | 4 | 559.42 |
mp-1181371 | 9.084397 | 5.1165 | -4.084315 | other | H20I4O24 | 48 | 4 | 477.6 |
mp-779360 | 14.770404 | 12.339013 | -0.862076 | other | V8O8F8 | 24 | 4 | 278.58 |
mp-755995 | 14.208247 | 8.637703 | -4.85292 | other | P4W2O14 | 20 | 4 | 275.07 |
mp-771043 | 10.41858 | 9.426308 | 3.84419 | other | Y8Zr8O28 | 44 | 4 | 600.17 |
mp-755772 | 13.225074 | 0.389537 | 0.882359 | other | Fe8O8F8 | 24 | 4 | 280.56 |
mp-625246 | 10.526662 | 8.460686 | -4.945654 | other | V6H6O18 | 30 | 4 | 358.65 |
mp-1247866 | 13.630019 | 4.398608 | -2.42072 | other | Ag8B32O52 | 92 | 4 | 1,035.47 |
mp-1181093 | 7.460927 | 4.679424 | -4.52052 | other | H12N8O18 | 38 | 4 | 484.66 |
mp-769650 | 10.716642 | 9.835713 | 2.123041 | other | Zr8Bi8O28 | 44 | 4 | 640.14 |
mp-28331 | 10.670933 | 12.246799 | -3.696833 | other | V8Zn16O36 | 60 | 4 | 763.58 |
mp-1190459 | 6.875205 | 6.049023 | -3.938938 | other | Na2As2O12 | 16 | 4 | 245.44 |
mp-764745 | 11.478766 | 1.546518 | 2.62447 | other | Fe8O2F14 | 24 | 4 | 300.09 |
mp-1284356 | 5.96351 | 11.000101 | 0.264918 | other | Sr8Co4O16 | 28 | 4 | 378.37 |
mp-1226449 | -6.909052 | -0.937291 | 3.390311 | other | Co4Si2Ge2 | 8 | 4 | 93.35 |
mp-25250 | 13.651812 | 8.748024 | -5.470427 | other | Mo2P4O14 | 20 | 4 | 273.4 |
mp-626000 | 10.974343 | 4.444486 | -3.855371 | other | Na2H2O2 | 6 | 4 | 57.96 |
mp-1042314 | 11.231533 | 10.928422 | -3.818341 | other | Ca2Mo4O14 | 20 | 4 | 405.06 |
mp-32531 | 11.100184 | 12.240861 | -3.31921 | other | Ba4V6O18 | 28 | 4 | 438.68 |
mp-1278885 | 11.262994 | 12.698545 | -0.165698 | other | Mn6Re2O12 | 20 | 4 | 229.38 |
mp-772032 | -1.202167 | 1.960836 | -1.790938 | other | Sr8La4I28 | 40 | 4 | 1,868.95 |
mp-1226249 | -6.278087 | -1.065861 | 4.11644 | other | Cr2Co2Si4 | 8 | 4 | 93.05 |
mp-559144 | 10.800349 | 7.829806 | -1.805657 | other | Ge2Pb6O10 | 18 | 4 | 307.95 |
mp-1207567 | 8.35051 | 1.581376 | 0.008154 | other | Yb2Hf2F14 | 18 | 4 | 290.41 |
mp-26144 | 9.804149 | 8.229578 | -6.670323 | other | Mn6P8O32 | 46 | 4 | 570.6 |
mp-543090 | 8.818005 | 12.41848 | -0.213584 | other | Li34Co6O24 | 64 | 4 | 604.88 |
mp-754293 | 10.521622 | 0.959286 | -1.375412 | other | Co6O4F8 | 18 | 4 | 200.41 |
mp-767631 | 10.045834 | 1.941423 | 1.759272 | other | Li6V2F12 | 20 | 4 | 222.89 |
mp-12193 | 10.063563 | 10.615231 | 3.433292 | other | Nd8Ti8O28 | 44 | 4 | 545.65 |
mp-752425 | 10.161574 | 10.583493 | 3.345561 | other | Dy8Ti8O28 | 44 | 4 | 513.11 |
mp-26974 | 10.344072 | 8.126764 | -6.731868 | other | Cr2P4O14 | 20 | 4 | 257.86 |
mp-767471 | -5.241335 | -3.98139 | -2.621452 | other | Li20Sb4S4 | 28 | 4 | 539.32 |
mp-1205479 | 8.29156 | 1.474809 | 0.914604 | other | K44Sb22F110 | 176 | 4 | 3,299.1 |
mp-1180449 | 7.380083 | 6.580429 | -4.435258 | other | Np4N4O20 | 28 | 4 | 501.15 |
mp-1182999 | 11.259554 | 11.302557 | -3.063199 | other | Al8W12O48 | 68 | 4 | 1,107.35 |
mp-1178279 | 5.227535 | 11.793625 | -2.386327 | other | Fe10O16F4 | 30 | 4 | 327.85 |
mp-1226204 | -0.437393 | 1.338283 | -4.702246 | other | Cs6Tl4Br18 | 28 | 4 | 1,079.05 |
mp-1173863 | 10.600416 | 12.359428 | 2.067692 | other | Mg6Ti12O30 | 48 | 4 | 561.09 |
mp-772758 | 10.388443 | 9.338869 | 3.765207 | other | Sm8Zr8O28 | 44 | 4 | 620.07 |
mp-755161 | 10.403394 | 10.596841 | 0.674514 | other | Tb4W2O12 | 18 | 4 | 252.38 |
mp-1211762 | 7.222592 | 8.705265 | -2.448253 | other | K4Pd2O8 | 14 | 4 | 259.58 |
mp-779763 | 10.194789 | 10.483739 | 3.341058 | other | Tb8Ti8O28 | 44 | 4 | 517.45 |
mp-1214177 | 8.266611 | 2.906428 | -2.035824 | other | C4S2F12 | 18 | 4 | 343.09 |
mp-28031 | 11.639668 | 11.200498 | -2.737306 | other | P4W10O38 | 52 | 4 | 762.52 |
mp-764966 | 13.792756 | 4.214812 | -2.380698 | other | Na8B32O52 | 92 | 4 | 978.51 |
mp-1204080 | 8.025923 | 5.261113 | -4.508132 | other | B8N4O22 | 34 | 4 | 522.62 |
mp-1191980 | 6.772902 | 6.171842 | -3.925849 | other | Na4Ge2O18 | 24 | 4 | 383.88 |
mp-1182717 | 11.469087 | 3.972823 | -3.81979 | other | Be12H24O24 | 60 | 4 | 447.52 |
mp-760131 | 9.635119 | 0.4611 | -0.366243 | other | Li8Cu8F28 | 44 | 4 | 485.48 |
mp-1199307 | 7.560255 | 5.845461 | -4.570714 | other | P6N12O14 | 32 | 4 | 522.2 |
mp-1203802 | 8.42105 | 7.411853 | -4.92896 | other | Mn6P4O28 | 38 | 4 | 498.23 |
mp-1178204 | 7.245798 | 11.080383 | 2.066338 | other | La6Mn2O14 | 22 | 4 | 300.92 |
mp-1204637 | 5.925168 | 5.291582 | -4.328268 | other | Ru2N12O24 | 38 | 4 | 617.56 |
mp-1197880 | -2.866238 | -2.545206 | -5.84628 | other | Er8Ag8S16 | 32 | 4 | 716.1 |
mp-25294 | 12.360839 | 9.096194 | -7.529164 | other | V2P4O14 | 20 | 4 | 250.83 |
mp-1835930 | 12.969683 | 12.226927 | -0.265028 | other | Ca4V8O16 | 28 | 4 | 333.79 |
mp-1199297 | -2.880765 | -2.465242 | -5.940771 | other | Ho8Ag8S16 | 32 | 4 | 714.58 |
mp-504350 | 12.569716 | 7.021637 | -6.972505 | other | Sb2P8O24 | 34 | 4 | 456.77 |
mp-17008 | 10.20857 | 9.305838 | -1.952387 | other | Ca6Te6O18 | 30 | 4 | 512.61 |
mp-1228043 | -7.442031 | -1.751664 | 2.853161 | other | Al2Si2Ni4 | 8 | 4 | 91.49 |
mp-1178467 | 9.342971 | 8.450689 | 0.382035 | other | Cs8Ce4O12 | 24 | 4 | 670.01 |
mp-555846 | 9.008154 | 0.973253 | 1.449083 | other | Ba4Al4F20 | 28 | 4 | 376.18 |
mp-763929 | 9.705637 | 1.01737 | -0.527869 | other | Ni6O2F10 | 18 | 4 | 204.38 |
mp-1080068 | 7.066348 | 4.910529 | -5.081672 | other | Cu2C2O6 | 10 | 4 | 141.8 |
mp-626631 | 11.680898 | 4.175474 | -3.870064 | other | Al8H24O24 | 56 | 4 | 429.52 |
mp-1180783 | 6.766277 | 6.153698 | -3.935071 | other | Na4Ge2O18 | 24 | 4 | 378.91 |
mp-759602 | 10.73311 | 9.265122 | -0.765161 | other | Sb16O20F8 | 44 | 4 | 860.33 |
mp-753290 | 11.828944 | 1.333902 | 2.64757 | other | Fe6O2F10 | 18 | 4 | 223.92 |
mp-28918 | 11.126786 | 10.357754 | -1.583099 | other | Sb4W2O12 | 18 | 4 | 254.22 |
mp-1378586 | 8.814878 | 14.756297 | -0.706739 | other | Mn8Zn4O16 | 28 | 4 | 328.07 |
mp-772190 | 10.13363 | 11.982578 | 0.628924 | other | Li24Ti8O28 | 60 | 4 | 719.4 |
mp-23407 | 7.447444 | 6.44825 | -3.01088 | other | Hg2I4O12 | 18 | 4 | 284.98 |
mp-1191757 | -2.694335 | -2.627872 | -5.476519 | other | La8Co2S14 | 24 | 4 | 602.02 |
mp-762225 | 8.580231 | 3.633489 | -6.96027 | other | Ba2C2O6 | 10 | 4 | 164.95 |
mp-1216226 | -3.201529 | -2.221442 | -5.142016 | other | Yb14Mn4S24 | 42 | 4 | 920.77 |
mp-760931 | 10.188367 | 1.596463 | -2.115485 | other | Co6O6F6 | 18 | 4 | 184.4 |
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