name stringlengths 9 12 | formula stringlengths 1 21 ⌀ | spacegroup int64 -1 230 | nelements int64 1 7 | nsites int64 1 368 | energy_per_atom float64 -14.3 1.6 | formation_energy_per_atom float64 -4.57 4.97 | band_gap float64 0 18.5 | volume_per_atom float64 2.73 204 | magnetization_per_atom float64 0 6.05 | atomic_volume_per_atom float64 0.12 111 | volume_deviation float64 -2.79 0.99 |
|---|---|---|---|---|---|---|---|---|---|---|---|
oqmd-435271 | Tm2TaPd | 225 | 3 | 4 | -6.482281 | 0.012543 | 0 | 21.675782 | 0.614948 | 36.34708 | -0.676852 |
oqmd-1204556 | Ca2TeOsO6 | 14 | 4 | 20 | -6.523065 | -1.976743 | 0 | 12.489344 | 0.200058 | 9.826404 | 0.213217 |
oqmd-360517 | Y2Pa2O5 | 123 | 3 | 9 | -8.326488 | -2.266836 | 0 | 15.946218 | 0.402363 | 14.555216 | 0.087231 |
oqmd-842814 | SmHfMg | 216 | 3 | 3 | -4.668963 | 0.735254 | 0 | 29.308405 | 0.019166 | 35.644942 | -0.216202 |
oqmd-363533 | KPt2Pb | 225 | 3 | 4 | -3.985278 | 0.242767 | 0 | 21.827945 | 0 | 30.464691 | -0.395674 |
oqmd-350425 | NdMgO3 | 221 | 3 | 5 | -5.751434 | -1.77637 | 0 | 17.113394 | 0.200026 | 10.155485 | 0.406577 |
oqmd-384715 | La2CePm | 225 | 3 | 4 | -4.72487 | 0.12345 | 0 | 36.562308 | 0 | 31.181878 | 0.147158 |
oqmd-506268 | LuUAg2 | 225 | 3 | 4 | -5.113133 | 0.251886 | 0 | 22.033718 | 0.757215 | 25.721201 | -0.167356 |
oqmd-364513 | GdBePt2 | 225 | 3 | 4 | -5.708522 | -0.578072 | 0 | 17.439957 | 0 | 26.331501 | -0.509837 |
oqmd-516801 | YCoAu2 | 225 | 3 | 4 | -5.294593 | -0.272695 | 0 | 19.021296 | 0.379632 | 24.688713 | -0.297951 |
oqmd-72263 | SrNb2Bi2O9 | 36 | 4 | 28 | -7.545108 | -2.49809 | 2.442 | 13.659659 | 0.000062 | 9.835275 | 0.279977 |
oqmd-1025709 | LiLaAsAu | 216 | 4 | 4 | -4.250247 | -0.562556 | 0 | 21.50346 | 0.000086 | 19.710254 | 0.083392 |
oqmd-1106549 | ThB | 225 | 2 | 2 | -6.959882 | 0.08561 | 0 | 20.723296 | 0.000413 | 13.593678 | 0.344039 |
oqmd-27933 | Ti6Al16Pd7 | 225 | 3 | 29 | -5.556965 | -0.648096 | 0 | 15.714135 | 0.000844 | 13.402227 | 0.147123 |
oqmd-675531 | CoNiP | 189 | 3 | 9 | -6.604831 | -0.666581 | 0 | 10.749662 | 0.000063 | 10.836329 | -0.008062 |
oqmd-481990 | KZn2Fe | 225 | 3 | 4 | -2.287045 | 0.697118 | 0 | 20.157997 | 0.727215 | 24.998594 | -0.240133 |
oqmd-953540 | GaReSb | 216 | 3 | 3 | -5.517519 | 1.006557 | 0 | 19.918363 | 0.001884 | 16.074852 | 0.192963 |
oqmd-836050 | CrCdAg | 216 | 3 | 3 | -3.802983 | 0.607236 | 0 | 22.098227 | 1.43346 | 18.486111 | 0.163457 |
oqmd-486336 | LiTlSb2 | 225 | 3 | 4 | -3.079733 | 0.043055 | 0 | 26.231178 | 0 | 13.780233 | 0.474662 |
oqmd-902386 | CsKSc | 216 | 3 | 3 | -1.731022 | 1.028876 | 0 | 71.309788 | 0.586654 | 65.683027 | 0.078906 |
oqmd-405039 | ZrCu2Ru | 225 | 3 | 4 | -6.305973 | -0.010703 | 0 | 14.596993 | 0 | 21.445368 | -0.469163 |
oqmd-369243 | TbNdOs2 | 225 | 3 | 4 | -7.813057 | 0.3126 | 0 | 20.769824 | 0 | 34.343567 | -0.653532 |
oqmd-379564 | BiAs2W | 225 | 3 | 4 | -5.852537 | 0.723207 | 0 | 19.458259 | 0.000015 | 13.693524 | 0.296262 |
oqmd-371717 | HfTl2As | 225 | 3 | 4 | -4.315095 | 0.516437 | 0 | 23.207176 | 0 | 18.926303 | 0.184463 |
oqmd-390628 | Pr2NdZr | 225 | 3 | 4 | -5.472282 | 0.242644 | 0 | 31.372965 | 0.035265 | 49.869723 | -0.589576 |
oqmd-774400 | MnGaCoAu | 216 | 4 | 4 | -5.644935 | -0.041156 | 0 | 14.347429 | 1.261546 | 16.198648 | -0.129028 |
oqmd-519820 | Np2VAg | 225 | 3 | 4 | -8.578066 | 0.832759 | 0 | 18.904683 | 1.557208 | 21.165 | -0.119564 |
oqmd-486515 | TmHfSb2 | 225 | 3 | 4 | -6.121515 | -0.455135 | 0 | 24.157724 | 0.048431 | 25.808429 | -0.06833 |
oqmd-1214955 | Bi | 223 | 1 | 8 | -3.79205 | 0.246882 | 0 | 31.98482 | 0 | 12.24889 | 0.617041 |
oqmd-1102814 | NdGeHO4 | 62 | 4 | 28 | -6.759966 | -2.351334 | 3.943 | 11.725483 | 0.000004 | 6.753638 | 0.42402 |
oqmd-306801 | CoIr | 221 | 2 | 2 | -7.728725 | 0.243518 | 0 | 12.80912 | 0.944775 | 19.569626 | -0.527788 |
oqmd-771791 | YScCoB | 216 | 4 | 4 | -6.350508 | 0.289572 | 0.865 | 14.690201 | 0.000132 | 20.868493 | -0.420572 |
oqmd-434975 | LiTm2Os | 225 | 3 | 4 | -5.814928 | -0.29677 | 0 | 19.789374 | 0 | 34.422623 | -0.73945 |
oqmd-469171 | K2ErOs | 225 | 3 | 4 | -2.896632 | 1.599047 | 0 | 28.673235 | 0.161465 | 48.770728 | -0.700915 |
oqmd-431898 | BaCa2O4 | 227 | 3 | 14 | -5.831624 | -2.407004 | 0 | 17.946319 | 0 | 18.693621 | -0.041641 |
oqmd-328323 | PbW | 166 | 2 | 2 | -7.072911 | 1.259174 | 0 | 20.243594 | 0.001847 | 22.70601 | -0.121639 |
oqmd-24575 | Mn2GeSe4 | 62 | 3 | 28 | -5.570974 | -0.34209 | 0 | 22.551865 | 1.154151 | 8.778864 | 0.610726 |
oqmd-908354 | GeBiB | 216 | 3 | 3 | -4.071099 | 1.042432 | 0 | 20.78205 | 0 | 7.729484 | 0.628069 |
oqmd-781631 | ZnCrBMo | 216 | 4 | 4 | -6.549231 | 0.525901 | 0 | 12.031777 | 0.251888 | 15.66093 | -0.301631 |
oqmd-994891 | LiAlMoRu | 216 | 4 | 4 | -6.22423 | 0.198874 | 0 | 13.866636 | 0.240866 | 19.686525 | -0.419705 |
oqmd-840591 | EuVIr | 216 | 3 | 3 | -6.266485 | 0.294672 | 0 | 19.08744 | 0.01316 | 32.335508 | -0.694073 |
oqmd-766872 | BeAlCoPd | 216 | 4 | 4 | -5.461508 | -0.5197 | 0 | 11.690388 | 0.006682 | 11.923996 | -0.019983 |
oqmd-903118 | HoTaMn | 216 | 3 | 3 | -7.97239 | 0.513019 | 0 | 20.052481 | 0.006188 | 24.480206 | -0.220807 |
oqmd-535792 | PrNd2Au | 225 | 3 | 4 | -4.52094 | -0.12908 | 0 | 27.502203 | 0.503638 | 39.605932 | -0.4401 |
oqmd-445168 | Li2TaSi | 225 | 3 | 4 | -4.861052 | 0.406606 | 0 | 13.056332 | 0.000388 | 19.564328 | -0.498455 |
oqmd-837940 | PrInFe | 216 | 3 | 3 | -4.468898 | 0.79865 | 0 | 27.141774 | 0.82988 | 31.642198 | -0.165812 |
oqmd-838152 | PrMgNp | 216 | 3 | 3 | -5.265787 | 1.153412 | 0 | 28.036756 | 1.476432 | 32.780387 | -0.169193 |
oqmd-319124 | Hf3Pb | 194 | 2 | 8 | -8.400463 | -0.007945 | 0 | 22.110248 | 0 | 32.095558 | -0.451615 |
oqmd-543781 | Sr2YbGa | 225 | 3 | 4 | -2.057305 | -0.079693 | 0 | 35.153923 | 0 | 36.090011 | -0.026628 |
oqmd-552129 | GdCuTc2 | 225 | 3 | 4 | -6.679514 | 0.593618 | 0 | 16.560487 | 0.01025 | 29.274341 | -0.767722 |
oqmd-714623 | MgMnBeIn | 216 | 4 | 4 | -3.849934 | 0.411207 | 0 | 14.779818 | 0.824686 | 13.009597 | 0.119773 |
oqmd-901029 | KLiMo | 216 | 3 | 3 | -2.730486 | 1.88331 | 0 | 38.014631 | 1.58907 | 36.114869 | 0.049974 |
oqmd-789096 | AlCoCuPd | 216 | 4 | 4 | -5.151387 | -0.219392 | 0 | 13.069619 | 0.3289 | 13.645271 | -0.044045 |
oqmd-789760 | ZnInCuRh | 216 | 4 | 4 | -3.942953 | -0.200121 | 0 | 15.264986 | 0.000066 | 15.588631 | -0.021202 |
oqmd-303621 | K3Os | 139 | 2 | 4 | -2.290418 | 1.338601 | 0 | 34.929084 | 0.402157 | 51.708883 | -0.480396 |
oqmd-759260 | Zn5Hg | 189 | 2 | 6 | -1.023126 | 0.091724 | 0 | 16.248483 | 0 | 13.485566 | 0.170041 |
oqmd-800659 | TiFeTcSn | 216 | 4 | 4 | -7.831944 | -0.261745 | 0 | 15.109367 | 0.223321 | 19.294933 | -0.277018 |
oqmd-348810 | Gd3Mg | 221 | 2 | 4 | -3.865541 | 0.011391 | 0 | 29.961787 | 0.012726 | 42.931577 | -0.432878 |
oqmd-905277 | LuBOs | 216 | 3 | 3 | -5.966418 | 1.509624 | 0 | 18.780221 | 0.000923 | 24.027516 | -0.279405 |
oqmd-476184 | Lu2VBi | 225 | 3 | 4 | -5.468986 | 0.038082 | 0 | 24.678337 | 0.916572 | 29.699616 | -0.203469 |
oqmd-802370 | FeHgSbAu | 216 | 4 | 4 | -3.546716 | 0.46609 | 0 | 19.993739 | 0.697229 | 17.192144 | 0.140124 |
oqmd-300761 | Ge3Br | 139 | 2 | 4 | -3.438122 | 0.359046 | 0 | 21.518776 | 0 | 7.005709 | 0.674437 |
oqmd-418004 | Ba2TmNi | 225 | 3 | 4 | -2.890877 | 0.581297 | 0 | 34.076449 | 0 | 48.838729 | -0.433211 |
oqmd-1214099 | Ti2Zn2Ni | 139 | 3 | 5 | -4.453432 | 0.245526 | 0 | 15.853472 | 0.000563 | 16.703284 | -0.053604 |
oqmd-543201 | Sr2MgSi | 225 | 3 | 4 | -2.737349 | -0.15404 | 0 | 30.20785 | 0 | 26.623086 | 0.11867 |
oqmd-799027 | ScTlZnFe | 216 | 4 | 4 | -4.49878 | 0.066648 | 0 | 17.877651 | 0.574537 | 17.473145 | 0.022626 |
oqmd-414241 | HoCo2Si | 225 | 3 | 4 | -6.381668 | -0.336464 | 0 | 14.028942 | 0.250007 | 14.399618 | -0.026422 |
oqmd-717069 | Sc2CrPb | 216 | 3 | 4 | -6.378965 | 0.088322 | 0 | 19.997528 | 0.50056 | 21.661876 | -0.083228 |
oqmd-646704 | YCo4B | 191 | 3 | 12 | -7.175803 | -0.259028 | 0 | 12.365897 | 0.003961 | 16.918428 | -0.368152 |
oqmd-520190 | LaPmGa2 | 225 | 3 | 4 | -4.496966 | -0.560875 | 0 | 25.353164 | 0 | 22.054935 | 0.130091 |
oqmd-1104365 | CrW | 225 | 2 | 2 | -10.068345 | 1.165983 | 0 | 15.363003 | 0.419836 | 24.637109 | -0.603665 |
oqmd-800736 | MgInFeTc | 216 | 4 | 4 | -5.395057 | 0.337718 | 0 | 16.264698 | 0.835632 | 17.561444 | -0.079728 |
oqmd-1046589 | LiCrIn2 | 216 | 3 | 4 | -4.038247 | 0.172986 | 0 | 19.918113 | 1.122765 | 17.61867 | 0.115445 |
oqmd-499020 | NaTiPb2 | 225 | 3 | 4 | -3.954327 | 0.121971 | 0 | 24.286455 | 0.442638 | 20.541098 | 0.154216 |
oqmd-740795 | Hg2BiAu | 216 | 3 | 4 | -1.816663 | 0.189252 | 0 | 24.738208 | 0 | 19.051302 | 0.229884 |
oqmd-24668 | Lu2Cu(B2O5)2 | 14 | 4 | 34 | -7.800613 | -2.903462 | 1.773 | 8.709573 | 0.058824 | 6.708269 | 0.229782 |
oqmd-563009 | Ti2BeIn | 225 | 3 | 4 | -5.421245 | 0.046571 | 0 | 16.201209 | 0 | 16.865008 | -0.040972 |
oqmd-434321 | CdGe2Te | 225 | 3 | 4 | -3.0029 | 0.319515 | 0 | 22.791616 | 0 | 10.40956 | 0.543272 |
oqmd-793458 | TaVCuSn | 216 | 4 | 4 | -6.846084 | 0.259806 | 0 | 16.373818 | 0.001223 | 19.998814 | -0.22139 |
oqmd-55717 | Tl2S | 146 | 2 | 27 | -3.295777 | -0.443203 | 0.865 | 31.674369 | 0 | 11.553108 | 0.635254 |
oqmd-872389 | ErThRh | 216 | 3 | 3 | -6.128263 | 0.286991 | 0 | 25.310183 | 0.000135 | 31.489779 | -0.244155 |
oqmd-565826 | CeScRu | 216 | 3 | 3 | -6.330175 | 0.439 | 0 | 23.713485 | 0.000053 | 25.413224 | -0.071678 |
oqmd-834925 | NaCrRu | 216 | 3 | 3 | -5.517854 | 1.118694 | 0 | 17.77267 | 0.720046 | 23.838472 | -0.341299 |
oqmd-392982 | ZrV2Hg | 225 | 3 | 4 | -6.312067 | 0.384956 | 0 | 16.922526 | 0.00006 | 24.863034 | -0.469227 |
oqmd-449596 | TaReMo2 | 225 | 3 | 4 | -11.599449 | -0.10657 | 0 | 15.937713 | 0 | 29.701321 | -0.863587 |
oqmd-394280 | LaTbMg2 | 225 | 3 | 4 | -3.262117 | 0.064939 | 0 | 29.187881 | 0 | 26.078099 | 0.106544 |
oqmd-859763 | ThCoHg | 216 | 3 | 3 | -5.02869 | -0.074841 | 0 | 22.998134 | 0.000372 | 20.028029 | 0.129145 |
oqmd-400092 | AcPm2Pt | 225 | 3 | 4 | -5.02869 | -0.115632 | 0 | 27.007841 | 0 | 31.615269 | -0.170596 |
oqmd-494525 | LiZrSn2 | 225 | 3 | 4 | -4.787332 | -0.21934 | 0 | 22.20613 | 0 | 20.416717 | 0.080582 |
oqmd-537471 | NaNd2Co | 225 | 3 | 4 | -4.206646 | 0.247005 | 0 | 24.227893 | 0.000001 | 29.169101 | -0.203947 |
oqmd-971474 | SrSiW | 216 | 3 | 3 | -5.403757 | 1.285581 | 0 | 23.508514 | 0.567485 | 26.612986 | -0.132057 |
oqmd-1043699 | Ba2NbCo | 216 | 3 | 4 | -4.055678 | 1.201954 | 0 | 26.829496 | 0.886538 | 45.723529 | -0.704226 |
oqmd-767034 | InCoAgPd | 216 | 4 | 4 | -4.435795 | 0.016204 | 0 | 16.273733 | 0.000103 | 17.411919 | -0.06994 |
oqmd-958229 | FeSnHg | 216 | 3 | 3 | -3.886374 | 0.307278 | 0 | 21.434304 | 0.808978 | 16.539092 | 0.228382 |
oqmd-461498 | LuPu2Pt | 225 | 3 | 4 | -9.915159 | -0.120982 | 0 | 23.10778 | 2.855757 | 27.732196 | -0.200124 |
oqmd-970172 | LaBW | 216 | 3 | 3 | -6.834351 | 1.356852 | 0 | 18.448838 | 0.00055 | 21.310379 | -0.155107 |
oqmd-501449 | NpBe2As | 225 | 3 | 4 | -5.889858 | 0.385794 | 0 | 14.526042 | 0.945938 | 10.106268 | 0.304266 |
oqmd-765416 | NbCoSnPt | 216 | 4 | 4 | -6.893107 | -0.104775 | 0 | 16.360188 | 0.113268 | 20.805782 | -0.271732 |
oqmd-523119 | Cs2YZr | 225 | 3 | 4 | -2.756051 | 1.424161 | 0 | 42.452412 | 0.185774 | 74.557458 | -0.75626 |
oqmd-351872 | PuWO3 | 221 | 3 | 5 | -8.11787 | -0.39435 | 0 | 15.951931 | 0.739448 | 10.790498 | 0.323562 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.