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{
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"results": [
{
"id": "mp-849588",
"created_at": "2022-09-04T14:48:22.391377Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.235299 -0.062775 0.073731\n2.545566 4.575227 -0.074011\n-0.049995 0.085550 10.591079\nLi Mn B O\n2 4 4 12\ndirect\n0.524636 0.538239 0.245864 Li\n0.461694 0.475407 0.745913 Li\n0.932817 0.703873 0.630469 Mn\n0.006091 0.303093 0.391927 Mn\n0.296083 0.067138 0.130429 Mn\n0.696985 0.994009 0.891961 Mn\n0.010624 0.365510 0.876188 B\n0.634564 0.989337 0.376155 B\n0.320813 0.032837 0.637063 B\n0.967151 0.679137 0.137010 B\n0.123879 0.289205 0.579410 O\n0.710782 0.876171 0.079376 O\n0.242863 0.189582 0.953141 O\n0.810349 0.757203 0.453162 O\n0.043900 0.584778 0.810144 O\n0.415205 0.956092 0.310109 O\n0.565164 0.036742 0.692703 O\n0.963193 0.434860 0.192647 O\n0.204717 0.716018 0.136765 O\n0.283856 0.795336 0.636854 O\n0.660666 0.230259 0.361586 O\n0.769613 0.339530 0.861677 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.0479541378095627,
"density_atomic": 0.0861248855268563,
"volume": 255.4430100593834,
"volume_molar": 6.9923352851622855,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -179.90525568,
"energy_per_atom": -8.177511621818182,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -164.98925568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:10.909000Z",
"spacegroup": 9
},
{
"id": "mp-3958",
"created_at": "2022-09-04T14:48:22.397949Z",
"structure_string": "Er1 Si2 Os2\n1.0\n-2.091060 2.091060 4.784639\n2.091060 -2.091060 4.784639\n2.091060 2.091060 -4.784639\nEr Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.627842 0.627842 0.000000 Si\n0.372158 0.372158 0.000000 Si\n0.750000 0.250000 0.500000 Os\n0.250000 0.750000 0.500000 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Si",
"Os"
],
"chemical_system": "Er-Os-Si",
"density": 11.9829784791483,
"density_atomic": 0.05974861576646396,
"volume": 83.68394708160633,
"volume_molar": 10.079130173556491,
"formula_full": "Er1 Si2 Os2",
"formula_reduced": "Er(SiOs)2",
"formula_anonymous": "AB2C2",
"energy": -41.46428592,
"energy_per_atom": -8.292857184,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.46428592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0130614,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:38.809000Z",
"spacegroup": 139
},
{
"id": "mp-1026647",
"created_at": "2022-09-04T14:48:22.398967Z",
"structure_string": "Mg14 Cd1 C1\n1.0\n6.301192 -0.998754 0.000000\n-4.015542 6.955123 0.000000\n0.000000 0.000000 8.632814\nMg Cd C\n14 1 1\ndirect\n0.262780 0.381389 0.625000 Mg\n0.235313 0.867656 0.625000 Mg\n0.782550 0.396690 0.125000 Mg\n0.735185 0.364390 0.625000 Mg\n0.782550 0.885859 0.125000 Mg\n0.735185 0.870794 0.625000 Mg\n0.268675 0.069747 0.312425 Mg\n0.268675 0.069747 0.937575 Mg\n0.268675 0.698929 0.312425 Mg\n0.268675 0.698929 0.937575 Mg\n0.828732 0.164367 0.374212 Mg\n0.828732 0.164367 0.875788 Mg\n0.729057 0.614529 0.362463 Mg\n0.729057 0.614529 0.887537 Mg\n0.257679 0.378839 0.125000 Cd\n0.018480 0.759239 0.125000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"C"
],
"chemical_system": "C-Cd-Mg",
"density": 2.2449910658468024,
"density_atomic": 0.046550096618963414,
"volume": 343.7157205272475,
"volume_molar": 12.936902815249411,
"formula_full": "Mg14 Cd1 C1",
"formula_reduced": "Mg14CdC",
"formula_anonymous": "ABC14",
"energy": -30.10799033,
"energy_per_atom": -1.881749395625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.10799033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.445000Z",
"spacegroup": 38
},
{
"id": "mp-4647",
"created_at": "2022-09-04T14:48:22.400350Z",
"structure_string": "K3 Cu8 Se6\n1.0\n1.993225 9.009660 0.000000\n-1.993225 9.009660 0.000000\n0.000000 2.660600 9.767242\nK Cu Se\n3 8 6\ndirect\n0.690657 0.690657 0.699044 K\n0.500000 0.500000 0.000000 K\n0.309343 0.309343 0.300956 K\n0.104552 0.104552 0.217316 Cu\n0.517024 0.517024 0.362654 Cu\n0.895448 0.895448 0.782684 Cu\n0.079030 0.079030 0.472275 Cu\n0.920970 0.920970 0.527725 Cu\n0.697742 0.697742 0.088724 Cu\n0.482976 0.482976 0.637346 Cu\n0.302258 0.302258 0.911276 Cu\n0.039162 0.039162 0.715597 Se\n0.656872 0.656872 0.353395 Se\n0.343128 0.343128 0.646605 Se\n0.960838 0.960838 0.284403 Se\n0.841271 0.841271 0.024263 Se\n0.158729 0.158729 0.975737 Se\n",
"nsites": 17,
"nelements": 3,
"elements": [
"K",
"Cu",
"Se"
],
"chemical_system": "Cu-K-Se",
"density": 5.204118827360504,
"density_atomic": 0.04845987054265884,
"volume": 350.8057246053729,
"volume_molar": 12.42706737051383,
"formula_full": "K3 Cu8 Se6",
"formula_reduced": "K3(Cu4Se3)2",
"formula_anonymous": "A3B6C8",
"energy": -67.71193763,
"energy_per_atom": -3.983055154705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.87993763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007156,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:28.047000Z",
"spacegroup": 12
},
{
"id": "mp-12436",
"created_at": "2022-09-04T14:48:22.569467Z",
"structure_string": "Rb8 Mn8 S12 O48\n1.0\n10.357462 0.000000 0.000000\n0.000000 10.357462 0.000000\n0.000000 0.000000 10.357462\nRb Mn S O\n8 8 12 48\ndirect\n0.799275 0.700725 0.299275 Rb\n0.700725 0.299275 0.799275 Rb\n0.299275 0.799275 0.700725 Rb\n0.200725 0.200725 0.200725 Rb\n0.433933 0.433933 0.433933 Rb\n0.933933 0.066067 0.566067 Rb\n0.066067 0.566067 0.933933 Rb\n0.566067 0.933933 0.066067 Rb\n0.914826 0.914826 0.914826 Mn\n0.585174 0.085174 0.414826 Mn\n0.085174 0.414826 0.585174 Mn\n0.414826 0.585174 0.085174 Mn\n0.654270 0.654270 0.654270 Mn\n0.154270 0.845730 0.345730 Mn\n0.845730 0.345730 0.154270 Mn\n0.345730 0.154270 0.845730 Mn\n0.626038 0.968018 0.731506 S\n0.126038 0.531982 0.268494 S\n0.373962 0.468018 0.768494 S\n0.531982 0.268494 0.126038 S\n0.768494 0.373962 0.468018 S\n0.268494 0.126038 0.531982 S\n0.968018 0.731506 0.626038 S\n0.731506 0.626038 0.968018 S\n0.468018 0.768494 0.373962 S\n0.031982 0.231506 0.873962 S\n0.231506 0.873962 0.031982 S\n0.873962 0.031982 0.231506 S\n0.651418 0.002639 0.594773 O\n0.151418 0.497361 0.405227 O\n0.348582 0.502639 0.905227 O\n0.497361 0.405227 0.151418 O\n0.905227 0.348582 0.502639 O\n0.405227 0.151418 0.497361 O\n0.002639 0.594773 0.651418 O\n0.594773 0.651418 0.002639 O\n0.502639 0.905227 0.348582 O\n0.997361 0.094773 0.848582 O\n0.094773 0.848582 0.997361 O\n0.848582 0.997361 0.094773 O\n0.582206 0.830849 0.741802 O\n0.082206 0.669151 0.258198 O\n0.417794 0.330849 0.758198 O\n0.669151 0.258198 0.082206 O\n0.758198 0.417794 0.330849 O\n0.258198 0.082206 0.669151 O\n0.711291 0.474929 0.552934 O\n0.830849 0.741802 0.582206 O\n0.330849 0.758198 0.417794 O\n0.169151 0.241802 0.917794 O\n0.241802 0.917794 0.169151 O\n0.917794 0.169151 0.241802 O\n0.525071 0.052934 0.788709 O\n0.025071 0.447066 0.211291 O\n0.474929 0.552934 0.711291 O\n0.447066 0.211291 0.025071 O\n0.752467 0.012137 0.306736 O\n0.306736 0.752467 0.012137 O\n0.012137 0.306736 0.752467 O\n0.487863 0.693264 0.252467 O\n0.806736 0.747533 0.987863 O\n0.987863 0.806736 0.747533 O\n0.193264 0.247533 0.512137 O\n0.693264 0.252467 0.487863 O\n0.512137 0.193264 0.247533 O\n0.252467 0.487863 0.693264 O\n0.247533 0.512137 0.193264 O\n0.747533 0.987863 0.806736 O\n0.974929 0.947066 0.288709 O\n0.288709 0.974929 0.947066 O\n0.947066 0.288709 0.974929 O\n0.552934 0.711291 0.474929 O\n0.788709 0.525071 0.052934 O\n0.052934 0.788709 0.525071 O\n0.211291 0.025071 0.447066 O\n0.741802 0.582206 0.830849 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"S",
"O"
],
"chemical_system": "Mn-O-Rb-S",
"density": 3.4014251621438643,
"density_atomic": 0.06839959755397747,
"volume": 1111.1176486093311,
"volume_molar": 8.804351159007382,
"formula_full": "Rb8 Mn8 S12 O48",
"formula_reduced": "Rb2Mn2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -531.50774077,
"energy_per_atom": -6.9935229048684215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -485.18774077,
"band_gap": 4.4946,
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"is_magnetic": true,
"total_magnetization": 40.00022,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:49.028000Z",
"spacegroup": 198
},
{
"id": "mp-1049223",
"created_at": "2022-09-04T14:48:23.004698Z",
"structure_string": "La2 Zn2 Cr2 Sb2 O12\n1.0\n5.698186 0.000000 0.000000\n0.000000 5.504953 0.000000\n0.000000 5.516028 7.985824\nLa Zn Cr Sb O\n2 2 2 2 12\ndirect\n0.197727 0.736807 0.250053 La\n0.802273 0.736807 0.750053 La\n0.738944 0.255612 0.249805 Zn\n0.261056 0.255612 0.749805 Zn\n0.259645 0.999163 0.499966 Cr\n0.740355 0.999163 0.999966 Cr\n0.265617 0.498913 0.000628 Sb\n0.734383 0.498913 0.500628 Sb\n0.691204 0.154354 0.750391 O\n0.454714 0.744025 0.055967 O\n0.453021 0.356524 0.441658 O\n0.934227 0.623253 0.065007 O\n0.938504 0.242120 0.438715 O\n0.218819 0.889234 0.747809 O\n0.308796 0.154354 0.250391 O\n0.545286 0.744025 0.555967 O\n0.546979 0.356524 0.941658 O\n0.065773 0.623253 0.565007 O\n0.061496 0.242120 0.938715 O\n0.781181 0.889234 0.247809 O\n",
"nsites": 20,
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"elements": [
"La",
"Zn",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-La-O-Sb-Zn",
"density": 6.2850511907099404,
"density_atomic": 0.07983990736022134,
"volume": 250.5012926651341,
"volume_molar": 7.542770224956965,
"formula_full": "La2 Zn2 Cr2 Sb2 O12",
"formula_reduced": "LaZnCrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -145.82784356,
"energy_per_atom": -7.291392178,
"energy_above_hull": null,
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"energy_uncorrected": -133.58584356,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:10.025000Z",
"spacegroup": 7
},
{
"id": "mp-1199727",
"created_at": "2022-09-04T14:48:23.030687Z",
"structure_string": "Rb8 Ag8 Sn4 P12 Se36\n1.0\n7.857509 0.000000 0.000000\n0.000000 11.437844 0.000000\n0.000000 9.659288 22.215606\nRb Ag Sn P Se\n8 8 4 12 36\ndirect\n0.065481 0.078111 0.176830 Rb\n0.434519 0.078111 0.676830 Rb\n0.934519 0.921889 0.823170 Rb\n0.565481 0.921889 0.323170 Rb\n0.932256 0.258829 0.495769 Rb\n0.567744 0.258829 0.995769 Rb\n0.067744 0.741171 0.504231 Rb\n0.432256 0.741171 0.004231 Rb\n0.716931 0.556499 0.248279 Ag\n0.783069 0.556499 0.748279 Ag\n0.283069 0.443501 0.751721 Ag\n0.216931 0.443501 0.251721 Ag\n0.426473 0.571408 0.347413 Ag\n0.073527 0.571408 0.847413 Ag\n0.573527 0.428592 0.652587 Ag\n0.926473 0.428592 0.152587 Ag\n0.442100 0.294034 0.386550 Sn\n0.057900 0.294034 0.886550 Sn\n0.557900 0.705966 0.613450 Sn\n0.942100 0.705966 0.113450 Sn\n0.114224 0.102373 0.343333 P\n0.385776 0.102373 0.843333 P\n0.885776 0.897627 0.656667 P\n0.614224 0.897627 0.156667 P\n0.874813 0.230251 0.323334 P\n0.625187 0.230251 0.823334 P\n0.125187 0.769749 0.676666 P\n0.374813 0.769749 0.176666 P\n0.618807 0.564726 0.490798 P\n0.881193 0.564726 0.990798 P\n0.381193 0.435274 0.509202 P\n0.118807 0.435274 0.009202 P\n0.033487 0.918950 0.348196 Se\n0.466513 0.918950 0.848196 Se\n0.966513 0.081050 0.651804 Se\n0.533487 0.081050 0.151804 Se\n0.211974 0.097362 0.432117 Se\n0.288026 0.097362 0.932117 Se\n0.788026 0.902638 0.567883 Se\n0.711974 0.902638 0.067883 Se\n0.803985 0.797989 0.226875 Se\n0.696015 0.797989 0.726875 Se\n0.196015 0.202011 0.773125 Se\n0.303985 0.202011 0.273125 Se\n0.262483 0.758674 0.261185 Se\n0.237517 0.758674 0.761185 Se\n0.737517 0.241326 0.738815 Se\n0.762483 0.241326 0.238815 Se\n0.953504 0.419409 0.323180 Se\n0.546496 0.419409 0.823180 Se\n0.046496 0.580591 0.676820 Se\n0.453504 0.580591 0.176820 Se\n0.708871 0.121460 0.402936 Se\n0.791129 0.121460 0.902936 Se\n0.291129 0.878540 0.597064 Se\n0.208871 0.878540 0.097064 Se\n0.717040 0.589470 0.401700 Se\n0.782960 0.589470 0.901700 Se\n0.282960 0.410530 0.598300 Se\n0.217040 0.410530 0.098300 Se\n0.196896 0.527837 0.437364 Se\n0.303104 0.527837 0.937364 Se\n0.803104 0.472163 0.562636 Se\n0.696896 0.472163 0.062636 Se\n0.475836 0.248080 0.510144 Se\n0.024164 0.248080 0.010144 Se\n0.524164 0.751920 0.489856 Se\n0.975836 0.751920 0.989856 Se\n",
"nsites": 68,
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"elements": [
"Rb",
"Ag",
"Sn",
"P",
"Se"
],
"chemical_system": "Ag-P-Rb-Se-Sn",
"density": 4.354544149106854,
"density_atomic": 0.03405820005485785,
"volume": 1996.5823176348658,
"volume_molar": 17.681911405476754,
"formula_full": "Rb8 Ag8 Sn4 P12 Se36",
"formula_reduced": "Rb2Ag2Sn(PSe3)3",
"formula_anonymous": "AB2C2D3E9",
"energy": -283.56698392000004,
"energy_per_atom": -4.170102704705883,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -266.57498392,
"band_gap": 1.5971,
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"is_magnetic": false,
"total_magnetization": 0.0047935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:03.926000Z",
"spacegroup": 14
},
{
"id": "mp-5878",
"created_at": "2022-09-04T14:48:23.035553Z",
"structure_string": "K1 Zn1 F3\n1.0\n4.131580 0.000000 0.000000\n0.000000 4.131580 0.000000\n0.000000 0.000000 4.131580\nK Zn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
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"elements": [
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"Zn",
"F"
],
"chemical_system": "F-K-Zn",
"density": 3.802593253959647,
"density_atomic": 0.0708959628336484,
"volume": 70.5258776403403,
"volume_molar": 8.494335247453318,
"formula_full": "K1 Zn1 F3",
"formula_reduced": "KZnF3",
"formula_anonymous": "ABC3",
"energy": -22.19457911,
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"energy_above_hull": null,
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"energy_uncorrected": -20.80857911,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:39:14.461000Z",
"spacegroup": 221
},
{
"id": "mp-1093557",
"created_at": "2022-09-04T14:48:23.083296Z",
"structure_string": "Y1 Zn1 Ag2\n1.0\n-5.619087 6.190822 8.858362\n5.619087 -6.190822 8.858362\n5.619087 6.190822 -8.858362\nY Zn Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.242269 0.242269 Ag\n0.000000 0.757731 0.757731 Ag\n",
"nsites": 4,
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"elements": [
"Y",
"Zn",
"Ag"
],
"chemical_system": "Ag-Y-Zn",
"density": 0.4985210306662711,
"density_atomic": 0.0032451330128246236,
"volume": 1232.6151144474434,
"volume_molar": 185.57454305265037,
"formula_full": "Y1 Zn1 Ag2",
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