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{
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"results": [
{
"id": "mp-1093755",
"created_at": "2022-09-04T14:46:11.847803Z",
"structure_string": "Ca1 Cd2 Ag1\n1.0\n-6.076641 6.452671 9.096077\n6.076641 -6.452671 9.096077\n6.076641 6.452671 -9.096077\nCa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273937 0.273937 Cd\n0.000000 0.726063 0.726063 Cd\n0.000000 0.500000 0.500000 Ag\n",
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"density": 0.43388110010760905,
"density_atomic": 0.002803772487947881,
"volume": 1426.6492795667791,
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"formula_full": "Ca1 Cd2 Ag1",
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{
"id": "mp-1093779",
"created_at": "2022-09-04T14:40:07.568343Z",
"structure_string": "K1 Na2 Tl1\n1.0\n-6.988985 7.105538 10.012567\n6.988985 -7.105538 10.012567\n6.988985 7.105538 -10.012567\nK Na Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.261422 0.261422 Na\n0.000000 0.738578 0.738578 Na\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Tl"
],
"chemical_system": "K-Na-Tl",
"density": 0.2416700668348954,
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"volume": 1988.916273895744,
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"formula_full": "K1 Na2 Tl1",
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"total_magnetization": 0.0003125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.614000Z",
"spacegroup": 71
},
{
"id": "mp-1097201",
"created_at": "2022-09-04T14:42:00.666246Z",
"structure_string": "Cd1 In2 Hg1\n1.0\n-6.093363 6.119091 8.625274\n6.093363 -6.119091 8.625274\n6.093363 6.119091 -8.625274\nCd In Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750284 0.000000 0.750284 In\n0.249716 0.000000 0.249716 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"In",
"Hg"
],
"chemical_system": "Cd-Hg-In",
"density": 0.7004572680600556,
"density_atomic": 0.0031094468427921014,
"volume": 1286.40243819323,
"volume_molar": 193.67241392017075,
"formula_full": "Cd1 In2 Hg1",
"formula_reduced": "CdIn2Hg",
"formula_anonymous": "ABC2",
"energy": -3.08135271,
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"energy_uncorrected": -3.08135271,
"band_gap": 0.0,
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"total_magnetization": 0.7852873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.003000Z",
"spacegroup": 71
},
{
"id": "mp-1097309",
"created_at": "2022-09-04T14:48:11.098255Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-6.872352 7.082815 9.664029\n6.872352 -7.082815 9.664029\n6.872352 7.082815 -9.664029\nBa In Hg\n2 1 1\ndirect\n0.762761 0.000000 0.762761 Ba\n0.237239 0.000000 0.237239 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 0.5207355583039572,
"density_atomic": 0.002125839543591916,
"volume": 1881.6095561198456,
"volume_molar": 283.28294005787075,
"formula_full": "Ba2 In1 Hg1",
"formula_reduced": "Ba2InHg",
"formula_anonymous": "ABC2",
"energy": -3.05814698,
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"energy_uncorrected": -3.05814698,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.2287469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.337000Z",
"spacegroup": 71
},
{
"id": "mp-1093766",
"created_at": "2022-09-04T14:42:04.973341Z",
"structure_string": "Ca2 Zn1 In1\n1.0\n-6.223460 6.789714 9.322966\n6.223460 -6.789714 9.322966\n6.223460 6.789714 -9.322966\nCa Zn In\n2 1 1\ndirect\n0.000000 0.256219 0.256219 Ca\n0.000000 0.743781 0.743781 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"In"
],
"chemical_system": "Ca-In-Zn",
"density": 0.27438745309605744,
"density_atomic": 0.002538414360220736,
"volume": 1575.7868623356537,
"volume_molar": 237.24025731860124,
"formula_full": "Ca2 Zn1 In1",
"formula_reduced": "Ca2ZnIn",
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"energy_uncorrected": -3.05550134,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.455000Z",
"spacegroup": 71
},
{
"id": "mp-1097218",
"created_at": "2022-09-04T14:42:52.462496Z",
"structure_string": "Li1 Cd2 In1\n1.0\n-5.868143 5.922758 8.383652\n5.868143 -5.922758 8.383652\n5.868143 5.922758 -8.383652\nLi Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.237874 0.237874 Cd\n0.000000 0.762126 0.762126 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 0.49378277643198976,
"density_atomic": 0.003431958919346041,
"volume": 1165.5151165860107,
"volume_molar": 175.47240224971915,
"formula_full": "Li1 Cd2 In1",
"formula_reduced": "LiCd2In",
"formula_anonymous": "ABC2",
"energy": -3.03514741,
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"energy_uncorrected": -3.03514741,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.0696575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.570000Z",
"spacegroup": 71
},
{
"id": "mp-574379",
"created_at": "2022-09-04T14:43:03.222227Z",
"structure_string": "Cs2 Hg4\n1.0\n-2.893306 4.497847 4.759781\n2.893306 -4.497847 4.759781\n2.893306 4.497847 -4.759781\nCs Hg\n2 4\ndirect\n0.310016 0.060016 0.250000 Cs\n0.689984 0.939984 0.750000 Cs\n0.906090 0.334108 0.571982 Hg\n0.093910 0.665892 0.428018 Hg\n0.262125 0.334108 0.928018 Hg\n0.737875 0.665892 0.071982 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 7.158859401908476,
"density_atomic": 0.024216158029134696,
"volume": 247.7684524845494,
"volume_molar": 24.86827494582214,
"formula_full": "Cs2 Hg4",
"formula_reduced": "CsHg2",
"formula_anonymous": "AB2",
"energy": -4.5447729,
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"total_magnetization": 0.0004116,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.969000Z",
"spacegroup": 74
},
{
"id": "mp-725114",
"created_at": "2022-09-04T14:45:24.627547Z",
"structure_string": "K2 Mg1 Cr2 H4 O10\n1.0\n5.768909 0.000000 0.000000\n-2.224947 6.103870 0.000000\n-0.681228 -3.207834 6.933997\nK Mg Cr H O\n2 1 2 4 10\ndirect\n0.848954 0.216874 0.244200 K\n0.151046 0.783126 0.755800 K\n0.000000 0.000000 0.000000 Mg\n0.198709 0.872393 0.234729 Cr\n0.801291 0.127607 0.765271 Cr\n0.326929 0.358124 0.389575 H\n0.673071 0.641876 0.610425 H\n0.326474 0.262780 0.297574 H\n0.673526 0.737220 0.702426 H\n0.504207 0.451115 0.268032 O\n0.889988 0.452770 0.372454 O\n0.110012 0.547230 0.627546 O\n0.036744 0.902117 0.369183 O\n0.963256 0.097883 0.630817 O\n0.213475 0.081114 0.086428 O\n0.786525 0.918886 0.913572 O\n0.669288 0.079478 0.104015 O\n0.330712 0.920522 0.895985 O\n0.495793 0.548885 0.731968 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Mg",
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-K-Mg-O",
"density": 2.5198670278101445,
"density_atomic": 0.0778163735595481,
"volume": 244.16455214866144,
"volume_molar": 7.738912113903156,
"formula_full": "K2 Mg1 Cr2 H4 O10",
"formula_reduced": "K2MgCr2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -14.345496730000002,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:08.148000Z",
"spacegroup": 2
},
{
"id": "mp-1096423",
"created_at": "2022-09-04T14:44:28.569081Z",
"structure_string": "Na2 Tl1 Cd1\n1.0\n-6.434168 6.581107 9.307359\n6.434168 -6.581107 9.307359\n6.434168 6.581107 -9.307359\nNa Tl Cd\n2 1 1\ndirect\n0.000000 0.250003 0.250003 Na\n0.000000 0.749997 0.749997 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.38212658446245024,
"density_atomic": 0.002537360565690905,
"volume": 1576.4413044351184,
"volume_molar": 237.33878587965737,
"formula_full": "Na2 Tl1 Cd1",
"formula_reduced": "Na2TlCd",
"formula_anonymous": "ABC2",
"energy": -3.00953429,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:42.525000Z",
"spacegroup": 71
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{
"id": "mp-1186152",
"created_at": "2022-09-04T14:42:02.185369Z",
"structure_string": "Na2 Hg6\n1.0\n3.336647 -5.779242 0.000000\n3.336647 5.779242 0.000000\n0.000000 0.000000 5.508011\nNa Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.832808 0.167192 0.750000 Hg\n0.334384 0.167192 0.750000 Hg\n0.832808 0.665616 0.750000 Hg\n0.167192 0.832808 0.250000 Hg\n0.665616 0.832808 0.250000 Hg\n0.167192 0.334384 0.250000 Hg\n",
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"elements": [
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"volume": 212.42515217740976,
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"formula_full": "Na2 Hg6",
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"updated_at": "2021-11-28T01:35:28.572000Z",
"spacegroup": 194
},
{
"id": "mp-1185553",
"created_at": "2022-09-04T14:40:28.956689Z",
"structure_string": "Cs3 Hg1\n1.0\n6.783537 0.000000 0.000000\n0.000000 6.783537 0.000000\n0.000000 0.000000 6.783537\nCs Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"volume_molar": 46.9958496262338,
"formula_full": "Cs3 Hg1",
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"spacegroup": 221
},
{
"id": "mp-1247858",
"created_at": "2022-09-04T14:45:42.939074Z",
"structure_string": "Ag8 Te4\n1.0\n14.019176 0.414772 8.191274\n4.998201 13.270844 8.302850\n6.409570 5.034730 54.395364\nAg Te\n8 4\ndirect\n0.699808 0.500069 0.124978 Ag\n0.502698 0.302756 0.375006 Ag\n0.750014 0.749916 0.187531 Ag\n0.697286 0.497362 0.374968 Ag\n0.300989 0.499891 0.625045 Ag\n0.698968 0.499987 0.625033 Ag\n0.517069 0.683181 0.874961 Ag\n0.683214 0.517011 0.874961 Ag\n0.000103 0.000019 0.999918 Te\n0.999891 0.999880 0.250085 Te\n0.000114 0.000089 0.499932 Te\n0.999846 0.999837 0.750082 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Te"
],
"chemical_system": "Ag-Te",
"density": 0.2547269449252411,
"density_atomic": 0.001340377703821693,
"volume": 8952.700396153657,
"volume_molar": 449.28684973120903,
"formula_full": "Ag8 Te4",
"formula_reduced": "Ag2Te",
"formula_anonymous": "AB2",
"energy": -8.98729825,
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"updated_at": "2021-11-28T01:37:19.053000Z",
"spacegroup": 1
}
]
}