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-1217111 | -6.084133 | -2.731438 | 5.238683 | other | Ti5Al11 | 16 | 99 | 250.46 |
mp-1106121 | -5.555345 | -2.020454 | -3.358613 | other | Fe9Se8 | 17 | 99 | 314.21 |
mp-1225676 | -6.170729 | -2.752681 | -2.296019 | other | Cu3Te2 | 5 | 99 | 97.75 |
mp-680639 | -9.212473 | -4.385767 | 3.325983 | other | Cu21Pd7 | 28 | 99 | 358.23 |
mp-1224352 | 2.930136 | -0.654247 | -2.00875 | other | H4Pd3 | 7 | 99 | 64.28 |
mp-1237637 | -4.513371 | -5.769749 | 2.763165 | other | Tl1C1 | 2 | 99 | 37.71 |
mp-1192739 | 11.171301 | 12.286841 | -3.398196 | other | Cs4V6O16 | 26 | 100 | 483.71 |
mp-1247129 | 2.535612 | 2.195116 | 2.027225 | other | Zr6Si12N22 | 40 | 100 | 472.3 |
mp-1193517 | 8.361454 | 7.878537 | -4.200987 | other | V6N4O16 | 26 | 100 | 450.11 |
mp-1246631 | 0.849491 | 2.617367 | 1.752491 | other | Li6V12N22 | 40 | 100 | 579.1 |
mp-1246008 | 2.391355 | 2.187448 | 1.868251 | other | Sc6Ge12N22 | 40 | 100 | 531.28 |
mp-1247537 | 2.332716 | 2.207313 | 1.941406 | other | Zr6Ge12N22 | 40 | 100 | 540.16 |
mp-2646974 | 12.833509 | 10.932028 | -0.857289 | other | Mo4S4O4 | 12 | 100 | 263.84 |
mp-1209932 | 2.839011 | 2.233934 | 1.787512 | other | Nd6Si12N22 | 40 | 100 | 493.66 |
mp-1245407 | 2.405214 | 2.169267 | 1.743296 | other | Y6Ge12N22 | 40 | 100 | 555.42 |
mp-1247366 | 2.513357 | 2.226538 | 2.01369 | other | Ti6Si12N22 | 40 | 100 | 454.73 |
mp-541712 | 2.667869 | 2.120416 | 1.895232 | other | Ce6Si12N22 | 40 | 100 | 498.08 |
mp-1245708 | 2.575375 | 2.441162 | 1.711685 | other | Co6Si12N22 | 40 | 100 | 443.57 |
mp-1195070 | -5.905488 | -3.635917 | 1.85542 | other | Zr16Cu4Sb28 | 48 | 100 | 1,118.26 |
mp-770899 | 10.757225 | 12.466336 | -3.625081 | other | Li4V6O16 | 26 | 100 | 423.12 |
mp-1179789 | 11.062822 | 12.35349 | -3.430068 | other | Rb4V6O16 | 26 | 100 | 449.98 |
mp-510519 | 11.108219 | 12.337876 | -3.39703 | other | Rb4V6O16 | 26 | 100 | 443.5 |
mp-16787 | 11.087304 | 12.366113 | -3.484092 | other | K4V6O16 | 26 | 100 | 414.06 |
mp-759954 | 10.66664 | 0.026167 | 0.800834 | other | Li6Mn10F30 | 46 | 100 | 672.8 |
mp-1246222 | 2.680918 | 2.380944 | 1.736363 | other | Mn6Si12N22 | 40 | 100 | 456.97 |
mp-1194395 | 12.423583 | 11.87249 | -2.490687 | other | V6As4O18 | 28 | 100 | 393.86 |
mp-16929 | 2.838289 | 2.237257 | 1.768325 | other | Pr6Si12N22 | 40 | 100 | 498.35 |
mp-1245397 | 2.604733 | 2.337252 | 1.858212 | other | Cr6Si12N22 | 40 | 100 | 453.6 |
mp-1208795 | 10.933014 | 11.168474 | 3.077769 | other | Sr6Nb10O30 | 46 | 100 | 643.68 |
mp-1019893 | 2.82512 | 2.228617 | 1.797341 | other | La6Si12N22 | 40 | 100 | 503.82 |
mp-1208174 | 11.186683 | 12.343319 | -3.298757 | other | Tl4V6O16 | 26 | 100 | 430.69 |
mp-16995 | 2.830843 | 2.23497 | 1.812176 | other | Sm6Si12N22 | 40 | 100 | 486.43 |
mp-1246816 | 2.823716 | 2.329205 | 1.71996 | other | In6Si12N22 | 40 | 100 | 477.36 |
mp-1245416 | 2.487476 | 2.375664 | 1.509976 | other | Ge12Bi6N22 | 40 | 100 | 591.03 |
mp-1195972 | 10.723506 | 6.079871 | -4.656237 | other | V6H12O20 | 38 | 100 | 452.01 |
mp-1245818 | 0.821157 | 2.606723 | 1.76197 | other | Na6V12N22 | 40 | 100 | 578.57 |
mp-1247410 | 2.764528 | 2.315562 | 1.584026 | other | Si12Bi6N22 | 40 | 100 | 512.68 |
mp-1029652 | 2.818294 | 2.255752 | 1.805678 | other | Y6Si12N22 | 40 | 100 | 475.5 |
mp-1246418 | 2.33906 | 2.140187 | 2.049315 | other | Ta6Si12N22 | 40 | 100 | 453.07 |
mp-1247382 | 2.306506 | 2.479788 | 1.614659 | other | Co6Ge12N22 | 40 | 100 | 447.54 |
mp-1245692 | 2.536644 | 2.356112 | 1.522016 | other | In6Ge12N22 | 40 | 100 | 540.55 |
mp-1245870 | 2.74964 | 2.246368 | 1.884478 | other | Sc6Si12N22 | 40 | 100 | 463.55 |
mp-1194363 | 8.909986 | 10.593546 | -4.062877 | other | V6N4O16 | 26 | 100 | 424.3 |
mp-1247016 | 2.677495 | 2.339329 | 1.615461 | other | Si12Sb6N22 | 40 | 100 | 506.29 |
mp-722193 | 6.225083 | 6.033009 | -3.874169 | other | N2Cl2O4 | 8 | 100 | 170.81 |
mp-1210716 | -7.259822 | -10.954468 | 4.836727 | other | Mg24Ni4Sn4 | 32 | 101 | 684.17 |
mp-1200714 | -7.503611 | -4.0193 | 3.720947 | other | Yb12Ge52Pt16 | 80 | 101 | 1,514.65 |
mp-17905 | -3.80733 | -1.567234 | -5.866387 | other | Cs4Hg12S14 | 30 | 102 | 846.78 |
mp-777500 | 15.131536 | 12.609485 | -0.879001 | other | V6O8F4 | 18 | 102 | 198.74 |
mp-753573 | 9.640115 | 1.862104 | -0.068153 | other | Li2V2F12 | 16 | 102 | 207.88 |
mp-557403 | 10.763347 | 0.809542 | 1.465799 | original | Li2Fe4F12 | 18 | 102 | 213.02 |
mp-1310207 | 9.824873 | 14.935757 | -1.369173 | other | Mn6O8F4 | 18 | 102 | 198.61 |
mp-36940 | 4.120934 | 2.260571 | -3.133306 | other | Mg2C4N4 | 10 | 102 | 242.56 |
mp-770399 | 9.832142 | 12.470118 | 0.967886 | other | Li12Ti4O14 | 30 | 102 | 301.61 |
mp-35687 | 4.157377 | 2.173995 | -3.296128 | other | Be2C4N4 | 10 | 102 | 154.65 |
mp-1182683 | 5.568027 | 4.773737 | -4.255414 | other | Co4N32O18 | 54 | 102 | 1,353.26 |
mp-559112 | 9.940248 | 8.852687 | 0.458532 | other | K4Zn12O14 | 30 | 102 | 411.28 |
mp-1222351 | 8.88246 | 1.560782 | -0.629373 | other | Li2Fe2F12 | 16 | 102 | 178.53 |
mp-34656 | 4.208954 | 2.321503 | -3.083884 | other | Cd2C4N4 | 10 | 102 | 270.26 |
mp-1190754 | 5.398498 | -0.497421 | -3.07482 | other | Cd2B4H16 | 22 | 102 | 212.3 |
mp-759583 | 8.433595 | 12.100588 | -0.940316 | other | Na4Co12O14 | 30 | 102 | 382.79 |
mp-1199828 | 5.563488 | 4.689019 | -4.209722 | other | Co4N30O22 | 56 | 102 | 1,403.07 |
mp-1192119 | 5.430324 | -0.481757 | -2.990644 | other | Mg2B4H16 | 22 | 102 | 192.78 |
mp-35751 | 4.048469 | 2.201093 | -3.099885 | other | Zn2C4N4 | 10 | 102 | 211.2 |
mp-557295 | 9.554761 | 7.548883 | -3.662825 | other | V8Se16O48 | 72 | 103 | 984.89 |
mp-31407 | -5.427498 | -6.28782 | 0.941928 | other | Ba10In8Bi10 | 28 | 104 | 1,065.63 |
mp-1193545 | 10.556095 | 9.558246 | -0.836491 | other | Cu4Sb8O16 | 28 | 106 | 471.54 |
mp-1175459 | 4.254671 | 19.31892 | -1.85121 | other | Li9Co7O16 | 32 | 10 | 283.24 |
mp-779014 | 6.148539 | 13.226202 | -2.659399 | other | Co6O10F2 | 18 | 10 | 177.68 |
mp-1222227 | -6.39076 | -0.68974 | 3.839109 | other | Mn20Si12C1 | 33 | 10 | 392.91 |
mp-1225837 | 7.539373 | 10.711476 | -0.928936 | other | Cu8Pt2O10 | 20 | 10 | 233.12 |
mp-1101340 | -1.172647 | 1.987035 | -1.836625 | other | Sr1Ca1I4 | 6 | 10 | 275.26 |
mp-754905 | 9.706731 | 1.022074 | -0.532228 | other | Ni6O2F10 | 18 | 10 | 204.53 |
mp-1227395 | -5.757476 | -3.808636 | -1.678636 | other | Ca1Tm2Te4 | 7 | 10 | 238.5 |
mp-1024056 | -5.264391 | -0.744007 | -4.419807 | other | Fe8Si4S16 | 28 | 10 | 441.45 |
mp-1227401 | -5.841389 | -3.780802 | -1.717942 | other | Ca1Dy2Te4 | 7 | 10 | 243.76 |
mp-1284451 | 9.846138 | 14.12916 | -0.084276 | other | Li2Mn6O8 | 16 | 10 | 168.72 |
mp-1197010 | 10.152413 | 11.526866 | 3.073182 | other | Sr10Ti18O46 | 74 | 10 | 1,432.72 |
mp-779089 | 10.17658 | 1.622983 | -2.06532 | other | Co6O6F6 | 18 | 10 | 189.48 |
mp-755237 | 9.798817 | 11.427979 | -1.841906 | other | Mn1Te1O4 | 6 | 10 | 86.15 |
mp-1100933 | 10.81518 | 8.177732 | -1.938666 | other | V4Ge13O36 | 53 | 10 | 533.03 |
mp-2228326 | 8.291915 | 14.202847 | -1.67424 | other | Mg1Mn6O12 | 19 | 10 | 266.37 |
mp-28888 | -4.478415 | -1.486577 | -4.474973 | other | Cu2Pt4S8 | 14 | 10 | 250.62 |
mp-729788 | 7.857142 | 5.525275 | -3.655999 | other | La2Cl2O4 | 8 | 10 | 171.35 |
mp-1221293 | 10.608206 | 12.409894 | 2.138952 | other | Na2Ti12O25 | 39 | 10 | 483.47 |
mp-754746 | 14.775856 | 12.332277 | -0.84717 | other | V6O6F6 | 18 | 10 | 209.39 |
mp-1226018 | -6.243361 | -2.209325 | 0.806727 | other | Co1Ni1As4 | 6 | 10 | 97.12 |
mp-1224972 | -6.285412 | -2.062093 | 0.839038 | other | Fe1Co1As4 | 6 | 10 | 91.53 |
mp-1174051 | 3.87588 | 19.61935 | -1.825714 | other | Li5Co3O8 | 16 | 10 | 141.13 |
mp-764328 | 8.20159 | 14.672399 | -1.048123 | other | Na5Mn7O16 | 28 | 10 | 326.93 |
mp-1100948 | 11.876122 | 12.465506 | -1.486634 | other | V11Sb9O40 | 60 | 10 | 686.42 |
mp-1225200 | -7.493396 | -1.948095 | 2.493271 | other | Fe3Co3Sn6 | 12 | 10 | 210.34 |
mp-1174685 | 6.66989 | 19.540257 | -0.373576 | other | Li10Mn6O16 | 32 | 10 | 287.97 |
mp-753552 | 7.517859 | 10.685359 | -0.909918 | other | Cu8Pt2O10 | 20 | 10 | 224.69 |
mp-1197629 | 10.042577 | 11.4011 | 3.155327 | other | Sr15Ti25O65 | 105 | 10 | 2,137.32 |
mp-1175366 | 6.919003 | 19.919621 | -0.197611 | other | Li7Mn5O12 | 24 | 10 | 219.12 |
mp-1228753 | -5.928128 | -2.24628 | 0.830008 | other | As2P2Ru2 | 6 | 10 | 96.24 |
mp-775826 | 5.87715 | 12.882927 | -2.589597 | other | Fe3Co7O20 | 30 | 10 | 341.96 |
mp-1227385 | -5.844395 | -3.791813 | -1.724331 | other | Ca1Ho2Te4 | 7 | 10 | 241.42 |
mp-3182 | -2.615971 | 0.649911 | 2.582046 | other | Th3B2C3 | 8 | 10 | 129.29 |
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