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"results": [
{
"id": "mp-31194",
"created_at": "2022-09-04T14:40:18.265320Z",
"structure_string": "Li26 Ga42 Cu12\n1.0\n-6.821926 6.821926 6.821926\n6.821926 -6.821926 6.821926\n6.821926 6.821926 -6.821926\nLi Ga Cu\n26 42 12\ndirect\n0.795165 0.295165 0.500000 Li\n0.500000 0.204835 0.704835 Li\n0.295165 0.500000 0.795165 Li\n0.500000 0.795165 0.295165 Li\n0.704835 0.500000 0.204835 Li\n0.204835 0.704835 0.500000 Li\n0.000000 0.000000 0.627409 Li\n0.000000 0.627409 0.000000 Li\n0.372591 0.372591 0.372591 Li\n0.627409 0.000000 0.000000 Li\n0.000000 0.000000 0.372591 Li\n0.000000 0.372591 0.000000 Li\n0.627409 0.627409 0.627409 Li\n0.372591 0.000000 0.000000 Li\n0.579787 0.695502 0.884285 Li\n0.884285 0.188783 0.304498 Li\n0.695502 0.115715 0.811218 Li\n0.115715 0.811218 0.695502 Li\n0.304498 0.115715 0.420213 Li\n0.884285 0.579787 0.695502 Li\n0.695502 0.884285 0.579787 Li\n0.304498 0.884285 0.188782 Li\n0.115715 0.420213 0.304498 Li\n0.811217 0.695502 0.115715 Li\n0.420213 0.304498 0.115715 Li\n0.188783 0.304498 0.884285 Li\n0.093107 0.500000 0.593107 Ga\n0.593107 0.093107 0.500000 Ga\n0.500000 0.406893 0.906893 Ga\n0.406893 0.906893 0.500000 Ga\n0.500000 0.593107 0.093107 Ga\n0.906893 0.500000 0.406893 Ga\n0.097341 0.159520 0.256861 Ga\n0.937820 0.097341 0.840480 Ga\n0.840480 0.743139 0.902659 Ga\n0.743139 0.902659 0.840480 Ga\n0.159520 0.062180 0.902659 Ga\n0.256861 0.097341 0.159520 Ga\n0.159520 0.256861 0.097341 Ga\n0.840480 0.937820 0.097341 Ga\n0.062180 0.902659 0.159520 Ga\n0.902659 0.840480 0.743139 Ga\n0.902659 0.159520 0.062180 Ga\n0.097341 0.840480 0.937820 Ga\n0.030487 0.245878 0.594747 Ga\n0.784609 0.348870 0.754122 Ga\n0.435740 0.405253 0.651130 Ga\n0.405253 0.651130 0.435740 Ga\n0.564260 0.215391 0.969513 Ga\n0.594747 0.030487 0.245878 Ga\n0.245878 0.594747 0.030487 Ga\n0.754122 0.784609 0.348870 Ga\n0.215391 0.969513 0.564260 Ga\n0.651130 0.435740 0.405253 Ga\n0.969513 0.564260 0.215391 Ga\n0.348870 0.754122 0.784609 Ga\n0.969513 0.754122 0.405253 Ga\n0.215391 0.651130 0.245878 Ga\n0.564260 0.594747 0.348870 Ga\n0.594747 0.348870 0.564260 Ga\n0.435740 0.784609 0.030487 Ga\n0.405253 0.969513 0.754122 Ga\n0.754122 0.405253 0.969513 Ga\n0.245878 0.215391 0.651130 Ga\n0.784609 0.030487 0.435740 Ga\n0.348870 0.564260 0.594747 Ga\n0.030487 0.435740 0.784609 Ga\n0.651130 0.245878 0.215391 Ga\n0.177511 0.317559 0.495070 Cu\n0.859953 0.177511 0.682441 Cu\n0.682441 0.504930 0.822489 Cu\n0.504930 0.822489 0.682441 Cu\n0.317559 0.140047 0.822489 Cu\n0.495070 0.177511 0.317559 Cu\n0.317559 0.495070 0.177511 Cu\n0.682441 0.859953 0.177511 Cu\n0.140047 0.822489 0.317559 Cu\n0.822489 0.682441 0.504930 Cu\n0.822489 0.317559 0.140047 Cu\n0.177511 0.682441 0.859953 Cu\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Li",
"density": 5.062142244805153,
"density_atomic": 0.06299542108123388,
"volume": 1269.9335702008939,
"volume_molar": 9.559648394498906,
"formula_full": "Li26 Ga42 Cu12",
"formula_reduced": "Li13(Ga7Cu2)3",
"formula_anonymous": "A6B13C21",
"energy": -248.91200557,
"energy_per_atom": -3.1114000696249997,
"energy_above_hull": null,
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"energy_uncorrected": -248.91200557,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.765000Z",
"spacegroup": 204
},
{
"id": "mp-558954",
"created_at": "2022-09-04T14:40:22.498742Z",
"structure_string": "Na8 Sr8 Al8 P4 O16 F36\n1.0\n10.629112 0.000000 0.000000\n0.000000 5.338461 0.000000\n0.000000 5.006579 17.970745\nNa Sr Al P O F\n8 8 8 4 16 36\ndirect\n0.279844 0.498624 0.981153 Na\n0.742941 0.844580 0.131844 Na\n0.257059 0.155420 0.868156 Na\n0.720156 0.501376 0.018847 Na\n0.757059 0.844580 0.631844 Na\n0.779844 0.501376 0.518847 Na\n0.220156 0.498624 0.481153 Na\n0.242941 0.155420 0.368156 Na\n0.538826 0.675544 0.831563 Sr\n0.461174 0.324456 0.168437 Sr\n0.038826 0.324456 0.668437 Sr\n0.463390 0.357200 0.643031 Sr\n0.036610 0.357200 0.143031 Sr\n0.963390 0.642800 0.856969 Sr\n0.536610 0.642800 0.356969 Sr\n0.961174 0.675544 0.331563 Sr\n0.752955 0.214171 0.241015 Al\n0.500000 0.000000 0.000000 Al\n0.747045 0.214171 0.741015 Al\n0.000000 0.000000 0.500000 Al\n0.252955 0.785829 0.258985 Al\n0.247045 0.785829 0.758985 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.250393 0.873004 0.090530 P\n0.249607 0.873004 0.590530 P\n0.750393 0.126996 0.409470 P\n0.749607 0.126996 0.909470 P\n0.698377 0.054490 0.838989 O\n0.827141 0.976883 0.477920 O\n0.198377 0.945510 0.661011 O\n0.327141 0.023117 0.022080 O\n0.255708 0.576259 0.100866 O\n0.387023 0.977635 0.580296 O\n0.112977 0.977635 0.080296 O\n0.244292 0.576259 0.600866 O\n0.172859 0.023117 0.522080 O\n0.755708 0.423741 0.399134 O\n0.744292 0.423741 0.899134 O\n0.672859 0.976883 0.977920 O\n0.612977 0.022365 0.419704 O\n0.801623 0.054490 0.338989 O\n0.301623 0.945510 0.161011 O\n0.887023 0.022365 0.919704 O\n0.786392 0.356253 0.643316 F\n0.966034 0.752764 0.588427 F\n0.135373 0.039943 0.260327 F\n0.286392 0.643747 0.856684 F\n0.635373 0.960057 0.239673 F\n0.130861 0.526305 0.767609 F\n0.369139 0.526305 0.267609 F\n0.124376 0.981476 0.788907 F\n0.375624 0.981476 0.288907 F\n0.033966 0.247236 0.411573 F\n0.624376 0.018524 0.711093 F\n0.533966 0.752764 0.088427 F\n0.091288 0.271001 0.938745 F\n0.713608 0.356253 0.143316 F\n0.124911 0.593142 0.236289 F\n0.466149 0.751443 0.951976 F\n0.408712 0.271001 0.438745 F\n0.213608 0.643747 0.356684 F\n0.591288 0.728999 0.561255 F\n0.875089 0.406858 0.763711 F\n0.630861 0.473695 0.732391 F\n0.966149 0.248557 0.548024 F\n0.910229 0.229754 0.037051 F\n0.089771 0.770246 0.962949 F\n0.624911 0.406858 0.263711 F\n0.033851 0.751443 0.451976 F\n0.875624 0.018524 0.211093 F\n0.908712 0.728999 0.061255 F\n0.375089 0.593142 0.736289 F\n0.869139 0.473695 0.232391 F\n0.364627 0.039943 0.760327 F\n0.466034 0.247236 0.911573 F\n0.533851 0.248557 0.048024 F\n0.589771 0.229754 0.537051 F\n0.410229 0.770246 0.462949 F\n0.864627 0.960057 0.739673 F\n",
"nsites": 80,
"nelements": 6,
"elements": [
"Na",
"Sr",
"Al",
"P",
"O",
"F"
],
"chemical_system": "Al-F-Na-O-P-Sr",
"density": 3.524838886357103,
"density_atomic": 0.0784532334354135,
"volume": 1019.715778392485,
"volume_molar": 7.67608994084064,
"formula_full": "Na8 Sr8 Al8 P4 O16 F36",
"formula_reduced": "Na2Sr2Al2PO4F9",
"formula_anonymous": "AB2C2D2E4F9",
"energy": -512.29413453,
"energy_per_atom": -6.403676681624999,
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"updated_at": "2021-11-28T01:34:49.150000Z",
"spacegroup": 14
},
{
"id": "mp-1216523",
"created_at": "2022-09-04T14:40:15.689908Z",
"structure_string": "Y12 Ga4 Fe16 O48\n1.0\n-6.257887 6.257887 6.261067\n6.257887 -6.257887 6.261067\n6.257887 6.257887 -6.261067\nY Ga Fe O\n12 4 16 48\ndirect\n0.375000 0.500199 0.625199 Y\n0.875000 0.749801 0.374801 Y\n0.749585 0.625000 0.624585 Y\n0.000415 0.125000 0.375415 Y\n0.999580 0.499580 0.500000 Y\n0.750420 0.750420 0.000000 Y\n0.875000 0.250415 0.875415 Y\n0.375000 0.999585 0.124585 Y\n0.499801 0.125000 0.874801 Y\n0.250199 0.625000 0.125199 Y\n0.249580 0.249580 0.000000 Y\n0.500420 0.000420 0.500000 Y\n0.375000 0.249815 0.374815 Ga\n0.875000 0.000185 0.625185 Ga\n0.999815 0.625000 0.874815 Ga\n0.750185 0.125000 0.125185 Ga\n0.626124 0.875821 0.750732 Fe\n0.123876 0.374608 0.749697 Fe\n0.624911 0.374179 0.250303 Fe\n0.125089 0.875392 0.249268 Fe\n0.625392 0.375089 0.749268 Fe\n0.124179 0.874911 0.750303 Fe\n0.124608 0.373876 0.249697 Fe\n0.625821 0.876124 0.250732 Fe\n0.250000 0.750000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.875000 0.500107 0.125107 Fe\n0.375000 0.749893 0.874893 Fe\n0.250107 0.125000 0.625107 Fe\n0.499893 0.625000 0.374893 Fe\n0.000000 0.000000 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.532360 0.750204 0.834147 O\n0.217640 0.551787 0.717844 O\n0.833943 0.499796 0.282156 O\n0.916057 0.698213 0.165853 O\n0.657261 0.583999 0.374780 O\n0.540781 0.666001 0.573262 O\n0.209219 0.282481 0.625220 O\n0.092739 0.967519 0.426738 O\n0.948110 0.290814 0.540890 O\n0.749924 0.407221 0.459110 O\n0.801890 0.842779 0.842703 O\n0.000076 0.959186 0.157297 O\n0.719904 0.998638 0.665748 O\n0.030096 0.195844 0.778734 O\n0.417110 0.251362 0.221266 O\n0.332890 0.054156 0.334252 O\n0.596315 0.166760 0.126766 O\n0.710006 0.083240 0.929554 O\n0.039994 0.469548 0.873234 O\n0.153685 0.780452 0.070446 O\n0.300952 0.458346 0.957938 O\n0.500407 0.343014 0.042062 O\n0.449048 0.906986 0.657393 O\n0.249593 0.791654 0.342607 O\n0.448213 0.166057 0.665853 O\n0.249796 0.083943 0.782156 O\n0.301787 0.467640 0.217844 O\n0.500204 0.782360 0.334147 O\n0.032481 0.459219 0.125220 O\n0.717519 0.342739 0.926738 O\n0.333999 0.907261 0.874780 O\n0.416001 0.790781 0.073262 O\n0.157221 0.999924 0.959110 O\n0.040814 0.198110 0.040890 O\n0.709186 0.250076 0.657297 O\n0.592779 0.051890 0.342703 O\n0.804156 0.582890 0.834252 O\n0.001362 0.667110 0.721266 O\n0.945844 0.280096 0.278734 O\n0.748638 0.969904 0.165748 O\n0.219548 0.289994 0.373234 O\n0.530452 0.403685 0.570446 O\n0.916760 0.846315 0.626766 O\n0.833240 0.960006 0.429554 O\n0.093014 0.750407 0.542062 O\n0.208346 0.550952 0.457938 O\n0.541654 0.499593 0.842607 O\n0.656986 0.699048 0.157393 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Y",
"Ga",
"Fe",
"O"
],
"chemical_system": "Fe-Ga-O-Y",
"density": 5.09161252353666,
"density_atomic": 0.081569201511819,
"volume": 980.7623283943557,
"volume_molar": 7.382860992120193,
"formula_full": "Y12 Ga4 Fe16 O48",
"formula_reduced": "Y3Ga(FeO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -673.59065263,
"energy_per_atom": -8.419883157875,
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"updated_at": "2021-11-28T01:34:56.962000Z",
"spacegroup": 122
},
{
"id": "mp-570634",
"created_at": "2022-09-04T14:40:17.876750Z",
"structure_string": "Cd48 As32\n1.0\n-6.453871 6.453871 12.991713\n6.453871 -6.453871 12.991713\n6.453871 6.453871 -12.991713\nCd As\n48 32\ndirect\n0.462127 0.441799 0.258905 Cd\n0.962127 0.703222 0.020328 Cd\n0.691799 0.212127 0.758905 Cd\n0.191799 0.432894 0.479672 Cd\n0.287873 0.808201 0.241095 Cd\n0.787873 0.546778 0.479672 Cd\n0.058201 0.037873 0.741095 Cd\n0.558201 0.817106 0.020328 Cd\n0.682894 0.941799 0.979672 Cd\n0.182894 0.203222 0.741095 Cd\n0.953222 0.712127 0.520328 Cd\n0.453222 0.932894 0.241095 Cd\n0.067106 0.308201 0.520328 Cd\n0.567106 0.046778 0.758905 Cd\n0.796778 0.537873 0.979672 Cd\n0.296778 0.317106 0.258905 Cd\n0.414119 0.694809 0.504044 Cd\n0.914119 0.410075 0.719310 Cd\n0.944809 0.164119 0.004044 Cd\n0.444809 0.440765 0.780690 Cd\n0.335881 0.555191 0.995956 Cd\n0.835881 0.839925 0.780690 Cd\n0.805191 0.085881 0.495956 Cd\n0.305191 0.809235 0.719310 Cd\n0.690765 0.194809 0.280690 Cd\n0.190765 0.910075 0.495956 Cd\n0.660075 0.664119 0.219310 Cd\n0.160075 0.940765 0.995956 Cd\n0.059235 0.055191 0.219310 Cd\n0.559235 0.339925 0.004044 Cd\n0.089925 0.585881 0.280690 Cd\n0.589925 0.309235 0.504044 Cd\n0.431239 0.168157 0.974421 Cd\n0.931239 0.956819 0.263083 Cd\n0.418157 0.181239 0.474421 Cd\n0.918157 0.443736 0.236917 Cd\n0.318761 0.081843 0.525579 Cd\n0.818761 0.293181 0.236917 Cd\n0.331843 0.068761 0.025579 Cd\n0.831843 0.806264 0.263083 Cd\n0.693736 0.668157 0.736917 Cd\n0.193736 0.456819 0.025579 Cd\n0.206819 0.681239 0.763083 Cd\n0.706819 0.943736 0.525579 Cd\n0.056264 0.581843 0.763083 Cd\n0.556264 0.793181 0.474421 Cd\n0.543181 0.568761 0.736917 Cd\n0.043181 0.306264 0.974421 Cd\n0.497525 0.259569 0.253339 As\n0.997525 0.744186 0.237957 As\n0.509569 0.247525 0.753339 As\n0.009569 0.256229 0.262043 As\n0.252475 0.990431 0.246661 As\n0.752475 0.505814 0.262043 As\n0.240431 0.002475 0.746661 As\n0.740431 0.993771 0.237957 As\n0.506229 0.759569 0.762043 As\n0.006229 0.244186 0.746661 As\n0.994186 0.747525 0.737957 As\n0.494186 0.756229 0.246661 As\n0.243771 0.490431 0.737957 As\n0.743771 0.005814 0.753339 As\n0.755814 0.502475 0.762043 As\n0.255814 0.493771 0.253339 As\n0.375493 0.375493 0.000000 As\n0.875493 0.875493 0.000000 As\n0.625493 0.125493 0.500000 As\n0.125493 0.625493 0.500000 As\n0.374507 0.874507 0.500000 As\n0.874507 0.374507 0.500000 As\n0.124507 0.124507 0.000000 As\n0.624507 0.624507 0.000000 As\n0.625000 0.635792 0.510792 As\n0.125000 0.614208 0.989208 As\n0.885792 0.375000 0.010792 As\n0.385792 0.375000 0.510792 As\n0.864208 0.875000 0.489208 As\n0.364208 0.875000 0.989208 As\n0.625000 0.135792 0.010792 As\n0.125000 0.114208 0.489208 As\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Cd",
"As"
],
"chemical_system": "As-Cd",
"density": 5.978593408912383,
"density_atomic": 0.036959238685569946,
"volume": 2164.5467505594083,
"volume_molar": 16.29400651683671,
"formula_full": "Cd48 As32",
"formula_reduced": "Cd3As2",
"formula_anonymous": "A2B3",
"energy": -200.79160351,
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"updated_at": "2021-11-28T01:35:02.441000Z",
"spacegroup": 142
},
{
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}