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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11509",
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"results": [
{
"id": "mp-1236201",
"created_at": "2022-09-04T14:46:27.998962Z",
"structure_string": "Li1 Bi2 As2 Pb2 O10\n1.0\n5.386745 0.238893 -2.296052\n-0.778105 6.940914 -2.718779\n-0.136833 0.011204 7.537794\nLi Bi As Pb O\n1 2 2 2 10\ndirect\n0.579015 0.813819 0.066463 Li\n0.966690 0.218129 0.034652 Bi\n0.029383 0.727571 0.930863 Bi\n0.683593 0.637216 0.340266 As\n0.315202 0.368035 0.661936 As\n0.362925 0.898910 0.670469 Pb\n0.663927 0.169504 0.404611 Pb\n0.247260 0.298787 0.390219 O\n0.407111 0.740085 0.235576 O\n0.736436 0.711810 0.601877 O\n0.673667 0.389842 0.238502 O\n0.059854 0.300655 0.698595 O\n0.890439 0.739948 0.290546 O\n0.219203 0.980789 0.966034 O\n0.763493 0.969894 0.000201 O\n0.345262 0.627923 0.789968 O\n0.592254 0.231158 0.744037 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Li",
"Bi",
"As",
"Pb",
"O"
],
"chemical_system": "As-Bi-Li-O-Pb",
"density": 6.782902602906923,
"density_atomic": 0.06042864285811053,
"volume": 281.32354453031235,
"volume_molar": 9.96570578978629,
"formula_full": "Li1 Bi2 As2 Pb2 O10",
"formula_reduced": "LiBi2As2(PbO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -104.1204489,
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"total_magnetization": 1.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.651000Z",
"spacegroup": 1
},
{
"id": "mp-776849",
"created_at": "2022-09-04T14:46:28.012316Z",
"structure_string": "Li8 V6 Sn6 Sb4 O32\n1.0\n-3.090084 5.383654 -0.008135\n0.103590 0.028355 20.497067\n6.254444 0.042994 0.031299\nLi V Sn Sb O\n8 6 6 4 32\ndirect\n0.667111 0.445815 0.339722 Li\n0.667079 0.945792 0.339632 Li\n0.993185 0.496324 0.984216 Li\n0.993263 0.996292 0.984392 Li\n0.997494 0.249252 0.989876 Li\n0.997358 0.749208 0.989698 Li\n0.330517 0.199090 0.663916 Li\n0.330578 0.699080 0.664033 Li\n0.830504 0.608333 0.662198 V\n0.663887 0.357790 0.832222 V\n0.169494 0.357365 0.828372 V\n0.830458 0.108346 0.662166 V\n0.663891 0.857788 0.832084 V\n0.169456 0.857354 0.828357 V\n0.833582 0.107508 0.169369 Sn\n0.833536 0.607487 0.169353 Sn\n0.335832 0.107696 0.169836 Sn\n0.335870 0.607678 0.169802 Sn\n0.169954 0.357440 0.334883 Sn\n0.169921 0.857436 0.334898 Sn\n0.667386 0.248569 0.331071 Sb\n0.667466 0.748597 0.331194 Sb\n0.334972 0.495090 0.673765 Sb\n0.335115 0.995061 0.674161 Sb\n0.838150 0.301255 0.144279 O\n0.838168 0.801277 0.144221 O\n0.518742 0.171179 0.035209 O\n0.518756 0.671238 0.035279 O\n0.663363 0.052125 0.328690 O\n0.663728 0.552174 0.329365 O\n0.000540 0.159255 0.999755 O\n0.000261 0.659188 0.999220 O\n0.009372 0.407074 0.001028 O\n0.009475 0.907092 0.001068 O\n0.308088 0.300404 0.144165 O\n0.308003 0.800412 0.144171 O\n0.972168 0.163195 0.487589 O\n0.971894 0.663056 0.488194 O\n0.515727 0.162641 0.489830 O\n0.516623 0.662462 0.490511 O\n0.151478 0.047490 0.304935 O\n0.151571 0.547371 0.305085 O\n0.869891 0.309105 0.711619 O\n0.869819 0.809114 0.711673 O\n0.492932 0.414484 0.525013 O\n0.493030 0.914438 0.525064 O\n0.031618 0.414738 0.524806 O\n0.031535 0.914716 0.524798 O\n0.321455 0.303812 0.665567 O\n0.321346 0.803795 0.665460 O\n0.695010 0.053196 0.846007 O\n0.695334 0.553312 0.845359 O\n0.467454 0.409890 0.967514 O\n0.467530 0.909929 0.967504 O\n0.150329 0.053945 0.844266 O\n0.149300 0.554090 0.843544 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"V",
"Sn",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb-Sn-V",
"density": 4.966824609761833,
"density_atomic": 0.08082245866096992,
"volume": 692.8767192656939,
"volume_molar": 7.451073451330379,
"formula_full": "Li8 V6 Sn6 Sb4 O32",
"formula_reduced": "Li4V3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -391.18136682,
"energy_per_atom": -6.985381550357142,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -358.99736682,
"band_gap": 0.6482999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9995775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.347000Z",
"spacegroup": 1
},
{
"id": "mp-1228191",
"created_at": "2022-09-04T14:46:28.062052Z",
"structure_string": "Ba3 Sr1 Si8 N8 O8\n1.0\n-0.001082 0.000724 4.853369\n5.526410 -0.046733 -0.001258\n-0.122153 14.478096 0.002168\nBa Sr Si N O\n3 1 8 8 8\ndirect\n0.705746 0.741611 0.474093 Ba\n0.206079 0.258251 0.526048 Ba\n0.208276 0.754811 0.973880 Ba\n0.710399 0.231458 0.029943 Sr\n0.752445 0.442071 0.704573 Si\n0.252455 0.561820 0.295360 Si\n0.252534 0.059948 0.200379 Si\n0.752446 0.948410 0.799458 Si\n0.253567 0.250086 0.802882 Si\n0.754787 0.744360 0.196198 Si\n0.754216 0.251355 0.298895 Si\n0.254374 0.747470 0.700463 Si\n0.104864 0.277175 0.274020 N\n0.603606 0.725024 0.728254 N\n0.602637 0.227736 0.775426 N\n0.105552 0.775864 0.222314 N\n0.106122 0.465557 0.728719 N\n0.606891 0.535294 0.272466 N\n0.608962 0.033402 0.221860 N\n0.105043 0.966919 0.773847 N\n0.706422 0.370206 0.595834 O\n0.204922 0.633986 0.403697 O\n0.205445 0.133769 0.093253 O\n0.707176 0.896317 0.908842 O\n0.201876 0.304436 0.912230 O\n0.705940 0.666925 0.088333 O\n0.701870 0.196892 0.407804 O\n0.205748 0.798847 0.590928 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Si",
"N",
"O"
],
"chemical_system": "Ba-N-O-Si-Sr",
"density": 4.123914371271382,
"density_atomic": 0.07210928408480913,
"volume": 388.29951448510644,
"volume_molar": 8.351408333103464,
"formula_full": "Ba3 Sr1 Si8 N8 O8",
"formula_reduced": "Ba3SrSi8(NO)8",
"formula_anonymous": "AB3C8D8E8",
"energy": -222.99498357,
"energy_per_atom": -7.964106556071428,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -214.61098357,
"band_gap": 3.916700000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.041000Z",
"spacegroup": 1
},
{
"id": "mp-1310662",
"created_at": "2022-09-04T14:46:28.043496Z",
"structure_string": "Na6 Co10 O20\n1.0\n4.338262 2.481784 -0.004194\n-1.439145 -0.856391 11.111464\n1.443653 -7.440360 0.020537\nNa Co O\n6 10 20\ndirect\n0.822985 0.250500 0.798682 Na\n0.313046 0.748653 0.801340 Na\n0.999124 0.246717 0.195490 Na\n0.521914 0.747476 0.197568 Na\n0.601467 0.250157 0.398907 Na\n0.121607 0.747330 0.403337 Na\n0.903492 0.505268 0.800792 Co\n0.493288 0.495802 0.997519 Co\n0.998190 0.996398 0.000400 Co\n0.300657 0.499961 0.600471 Co\n0.802094 0.998198 0.602451 Co\n0.405913 0.004909 0.801356 Co\n0.598942 0.002863 0.200017 Co\n0.097365 0.501099 0.198619 Co\n0.203839 0.003273 0.401280 Co\n0.704871 0.505929 0.404741 Co\n0.090307 0.085514 0.800579 O\n0.591373 0.585753 0.805726 O\n0.203867 0.414952 0.802215 O\n0.704794 0.913956 0.801698 O\n0.271653 0.096133 0.192187 O\n0.792431 0.587313 0.197876 O\n0.878457 0.092475 0.399769 O\n0.378611 0.592236 0.390934 O\n0.706800 0.090240 0.997453 O\n0.203029 0.589392 0.002801 O\n0.522967 0.093793 0.606022 O\n0.016994 0.595489 0.607412 O\n0.805232 0.411947 0.001543 O\n0.309237 0.913942 0.001391 O\n0.615430 0.415732 0.600009 O\n0.108218 0.912440 0.604551 O\n0.009103 0.409905 0.396392 O\n0.520156 0.907447 0.407078 O\n0.381352 0.408692 0.190873 O\n0.909194 0.902118 0.190519 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.364820172222161,
"density_atomic": 0.09035783943233881,
"volume": 398.4159008910045,
"volume_molar": 6.664768433855108,
"formula_full": "Na6 Co10 O20",
"formula_reduced": "Na3(CoO2)5",
"formula_anonymous": "A3B5C10",
"energy": -228.64310332,
"energy_per_atom": -6.351197314444445,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -198.52310332,
"band_gap": 0.1687999999999996,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.257000Z",
"spacegroup": 1
},
{
"id": "mp-675061",
"created_at": "2022-09-04T14:46:28.067465Z",
"structure_string": "Sr24 Ta8 O43\n1.0\n6.038342 0.000000 0.000000\n2.970556 5.278420 0.000000\n1.925330 2.219791 38.939976\nSr Ta O\n24 8 43\ndirect\n0.630722 0.605871 0.026045 Sr\n0.287636 0.282430 0.062882 Sr\n0.257253 0.238111 0.150982 Sr\n0.982822 0.883656 0.098483 Sr\n0.966149 0.894160 0.188690 Sr\n0.908665 0.894235 0.282214 Sr\n0.651849 0.518971 0.215932 Sr\n0.484359 0.497607 0.414349 Sr\n0.564208 0.588576 0.312440 Sr\n0.154857 0.074529 0.524977 Sr\n0.159725 0.158503 0.435730 Sr\n0.236074 0.190787 0.346758 Sr\n0.850002 0.751054 0.572125 Sr\n0.870835 0.737854 0.481403 Sr\n0.726964 0.750753 0.665264 Sr\n0.476124 0.315898 0.771573 Sr\n0.535048 0.379263 0.587030 Sr\n0.408003 0.420901 0.680251 Sr\n0.139618 0.994577 0.730449 Sr\n0.100174 0.013433 0.820216 Sr\n0.031439 0.031323 0.910885 Sr\n0.778791 0.646685 0.833908 Sr\n0.681440 0.701391 0.928263 Sr\n0.344728 0.287313 0.972687 Sr\n0.001007 0.987464 0.996684 Ta\n0.617399 0.578571 0.124704 Ta\n0.258192 0.272351 0.251716 Ta\n0.879781 0.899516 0.377725 Ta\n0.502244 0.440540 0.502561 Ta\n0.127221 0.156052 0.626934 Ta\n0.757615 0.696752 0.750013 Ta\n0.375680 0.420869 0.873341 Ta\n0.387358 0.931991 0.103829 O\n0.680121 0.168726 0.023191 O\n0.844264 0.520591 0.082689 O\n0.838445 0.680742 0.150593 O\n0.393371 0.464848 0.105309 O\n0.166277 0.707881 0.030191 O\n0.613444 0.110580 0.232006 O\n0.384620 0.671620 0.166718 O\n0.893459 0.211988 0.384754 O\n0.306134 0.567527 0.257775 O\n0.122770 0.205446 0.213046 O\n0.842953 0.218612 0.144106 O\n0.238594 0.765856 0.358999 O\n0.899389 0.504992 0.267424 O\n0.296658 0.786255 0.475506 O\n0.316045 0.026974 0.288302 O\n0.798820 0.758412 0.340194 O\n0.516892 0.093303 0.394571 O\n0.767276 0.364362 0.466509 O\n0.687535 0.570080 0.531958 O\n0.304128 0.317801 0.478794 O\n0.996051 0.670252 0.416610 O\n0.494193 0.008939 0.612542 O\n0.228161 0.578020 0.538990 O\n0.558740 0.039448 0.721534 O\n0.131327 0.480266 0.626953 O\n0.027403 0.064552 0.587543 O\n0.697897 0.101053 0.527655 O\n0.038011 0.597130 0.716767 O\n0.759945 0.366454 0.640924 O\n0.899886 0.857486 0.780352 O\n0.571731 0.573212 0.722652 O\n0.222054 0.933360 0.667139 O\n0.454502 0.832320 0.783493 O\n0.748039 0.267846 0.862240 O\n0.400292 0.738501 0.874515 O\n0.908813 0.324161 0.968038 O\n0.282706 0.332859 0.832756 O\n0.904253 0.368793 0.777827 O\n0.011041 0.658130 0.884539 O\n0.343815 0.859458 0.971803 O\n0.871263 0.875269 0.962278 O\n0.418454 0.195659 0.911924 O\n",
"nsites": 75,
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"elements": [
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"Ta",
"O"
],
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"density": 5.670711122501113,
"density_atomic": 0.0604287948607222,
"volume": 1241.1301627454573,
"volume_molar": 9.96568072204647,
"formula_full": "Sr24 Ta8 O43",
"formula_reduced": "Sr24Ta8O43",
"formula_anonymous": "A8B24C43",
"energy": -593.7425933000001,
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"updated_at": "2021-11-28T01:37:39.347000Z",
"spacegroup": 1
},
{
"id": "mp-1101047",
"created_at": "2022-09-04T14:46:28.152587Z",
"structure_string": "Ti2 Cd2 O6\n1.0\n5.358733 0.584927 0.306251\n1.166453 17.483995 1.104769\n-0.110586 -0.523293 2.951350\nTi Cd O\n2 2 6\ndirect\n0.942717 0.021180 0.838234 Ti\n0.442428 0.021167 0.338210 Ti\n0.014741 0.422959 0.152653 Cd\n0.432946 0.623688 0.793150 Cd\n0.029818 0.969576 0.303556 O\n0.183909 0.077041 0.875392 O\n0.684039 0.076856 0.375293 O\n0.529064 0.969607 0.803576 O\n0.834661 0.779218 0.260018 O\n0.834676 0.779211 0.759918 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"O"
],
"chemical_system": "Cd-O-Ti",
"density": 2.4887070316451982,
"density_atomic": 0.03597949276045094,
"volume": 277.93610284000755,
"volume_molar": 16.737703335883612,
"formula_full": "Ti2 Cd2 O6",
"formula_reduced": "TiCdO3",
"formula_anonymous": "ABC3",
"energy": -62.96802835,
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"updated_at": "2021-11-28T01:37:35.437000Z",
"spacegroup": 1
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{
"id": "mp-1100446",
"created_at": "2022-09-04T14:46:28.159424Z",
"structure_string": "Mg8 Si14\n1.0\n4.294844 0.000000 0.000000\n-0.286004 6.785696 0.000000\n-0.481595 -0.711422 13.473644\nMg Si\n8 14\ndirect\n0.240665 0.114159 0.933553 Mg\n0.220276 0.352469 0.505053 Mg\n0.689079 0.193850 0.358040 Mg\n0.753996 0.561033 0.656880 Mg\n0.307264 0.569991 0.846075 Mg\n0.673454 0.531443 0.168323 Mg\n0.706658 0.663186 0.411727 Mg\n0.723211 0.045821 0.582164 Mg\n0.822505 0.425132 0.957310 Si\n0.701493 0.845732 0.993487 Si\n0.181973 0.690457 0.041813 Si\n0.741621 0.169529 0.077156 Si\n0.245866 0.739148 0.559106 Si\n0.191049 0.963334 0.429816 Si\n0.243097 0.174360 0.178094 Si\n0.736474 0.888902 0.810769 Si\n0.240717 0.262890 0.699426 Si\n0.203456 0.792901 0.264507 Si\n0.189632 0.439220 0.304463 Si\n0.748768 0.249620 0.796275 Si\n0.230769 0.906181 0.720287 Si\n0.700756 0.924243 0.209202 Si\n",
"nsites": 22,
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"elements": [
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"density": 2.4850284725247493,
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"volume": 392.6692214066395,
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"formula_full": "Mg8 Si14",
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"energy": -84.97717375,
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"spacegroup": 1
},
{
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{
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{
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"density_atomic": 0.09511634479758446,
"volume": 189.2419230186516,
"volume_molar": 6.331341656174467,
"formula_full": "Li4 Co2 P2 O8 F2",
"formula_reduced": "Li2CoPO4F",
"formula_anonymous": "ABCD2E4",
"energy": -121.50339186,
"energy_per_atom": -6.750188436666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.80739186,
"band_gap": 2.8292,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.370000Z",
"spacegroup": 1
}
]
}