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{
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"results": [
{
"id": "mp-1096231",
"created_at": "2022-09-04T14:43:07.690306Z",
"structure_string": "Li1 Mg2 Cu1\n1.0\n-5.444042 5.510813 7.695358\n5.444042 -5.510813 7.695358\n5.444042 5.510813 -7.695358\nLi Mg Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735261 0.000000 0.735261 Mg\n0.264739 0.000000 0.264739 Mg\n0.500000 0.000000 0.500000 Cu\n",
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"elements": [
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"chemical_system": "Cu-Li-Mg",
"density": 0.214152899119336,
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"volume": 923.476740348288,
"volume_molar": 139.03267297408405,
"formula_full": "Li1 Mg2 Cu1",
"formula_reduced": "LiMg2Cu",
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{
"id": "mp-1093758",
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"structure_string": "Mg1 Zn2 Ir1\n1.0\n-5.179055 5.576658 7.992386\n5.179055 -5.576658 7.992386\n5.179055 5.576658 -7.992386\nMg Zn Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.263939 0.263939 Zn\n0.000000 0.736061 0.736061 Zn\n0.000000 0.500000 0.500000 Ir\n",
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"density": 0.6246588844363218,
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"volume": 923.3385672778991,
"volume_molar": 139.01187053210595,
"formula_full": "Mg1 Zn2 Ir1",
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"updated_at": "2021-11-28T01:37:08.025000Z",
"spacegroup": 71
},
{
"id": "mp-1093678",
"created_at": "2022-09-04T14:45:00.344574Z",
"structure_string": "Hf2 Zn1 Os1\n1.0\n-5.176692 5.611432 7.945625\n5.176692 -5.611432 7.945625\n5.176692 5.611432 -7.945625\nHf Zn Os\n2 1 1\ndirect\n0.000000 0.280834 0.280834 Hf\n0.000000 0.719166 0.719166 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"Os"
],
"chemical_system": "Hf-Os-Zn",
"density": 1.1018576039051573,
"density_atomic": 0.004332573159165017,
"volume": 923.2388820806176,
"volume_molar": 138.99686257486303,
"formula_full": "Hf2 Zn1 Os1",
"formula_reduced": "Hf2ZnOs",
"formula_anonymous": "ABC2",
"energy": -19.40987995,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -19.40987995,
"band_gap": 0.0,
"is_gap_direct": true,
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"total_magnetization": 1.9999344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.461000Z",
"spacegroup": 71
},
{
"id": "mp-1213086",
"created_at": "2022-09-04T14:42:29.399031Z",
"structure_string": "Mn1 Sn3 F6\n1.0\n11.037258 0.000000 0.000000\n5.160110 10.106782 0.000000\n1.869528 1.626842 20.686563\nMn Sn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.606678 0.398799 0.920204 F\n0.393322 0.601201 0.079796 F\n0.004639 0.921137 0.594557 F\n0.995361 0.078863 0.405443 F\n0.914091 0.704348 0.004444 F\n0.085909 0.295652 0.995556 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Sn",
"F"
],
"chemical_system": "F-Mn-Sn",
"density": 0.3778281645699469,
"density_atomic": 0.004333487689577126,
"volume": 2307.610109070329,
"volume_molar": 138.96752896020476,
"formula_full": "Mn1 Sn3 F6",
"formula_reduced": "MnSn3F6",
"formula_anonymous": "AB3C6",
"energy": -45.18775477,
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"energy_above_hull": null,
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"energy_uncorrected": -40.74775477,
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"updated_at": "2021-11-28T01:35:48.150000Z",
"spacegroup": 2
},
{
"id": "mp-1093899",
"created_at": "2022-09-04T14:46:41.419959Z",
"structure_string": "Zr1 Cd1 Pt2\n1.0\n-5.134509 5.637405 7.970172\n5.134509 -5.637405 7.970172\n5.134509 5.637405 -7.970172\nZr Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.230002 0.230002 Pt\n0.000000 0.769998 0.769998 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Pt"
],
"chemical_system": "Cd-Pt-Zr",
"density": 1.0685273528255603,
"density_atomic": 0.00433465113975473,
"volume": 922.7962922585587,
"volume_molar": 138.93022911967844,
"formula_full": "Zr1 Cd1 Pt2",
"formula_reduced": "ZrCdPt2",
"formula_anonymous": "ABC2",
"energy": -15.45928948,
"energy_per_atom": -3.86482237,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -15.45928948,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.425000Z",
"spacegroup": 71
},
{
"id": "mp-1093564",
"created_at": "2022-09-04T14:48:19.937106Z",
"structure_string": "Li1 Mg1 Ga2\n1.0\n-5.440809 5.469153 7.751958\n5.440809 -5.469153 7.751958\n5.440809 5.469153 -7.751958\nLi Mg Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n0.245791 0.000000 0.245791 Ga\n0.754209 0.000000 0.754209 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Ga-Li-Mg",
"density": 0.307190166228093,
"density_atomic": 0.004335159050811227,
"volume": 922.688176631372,
"volume_molar": 138.91395193154662,
"formula_full": "Li1 Mg1 Ga2",
"formula_reduced": "LiMgGa2",
"formula_anonymous": "ABC2",
"energy": -4.6792511,
"energy_per_atom": -1.169812775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.6792511,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.437000Z",
"spacegroup": 71
},
{
"id": "mp-1096384",
"created_at": "2022-09-04T14:48:28.070239Z",
"structure_string": "Nb1 Cr2 Tc1\n1.0\n-4.666346 6.212950 7.955516\n4.666346 -6.212950 7.955516\n4.666346 6.212950 -7.955516\nNb Cr Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.251051 0.251051 Cr\n0.000000 0.748949 0.748949 Cr\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cr",
"Tc"
],
"chemical_system": "Cr-Nb-Tc",
"density": 0.530784995733614,
"density_atomic": 0.004335676297537211,
"volume": 922.5780998161958,
"volume_molar": 138.89737947966154,
"formula_full": "Nb1 Cr2 Tc1",
"formula_reduced": "NbCr2Tc",
"formula_anonymous": "ABC2",
"energy": -24.50127784,
"energy_per_atom": -6.12531946,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.50127784,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:22.892000Z",
"spacegroup": 71
},
{
"id": "mp-1096056",
"created_at": "2022-09-04T14:43:47.474518Z",
"structure_string": "In1 Ag1 Pd2\n1.0\n-5.167570 5.619824 7.940083\n5.167570 -5.619824 7.940083\n5.167570 5.619824 -7.940083\nIn Ag Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.257690 0.257690 Pd\n0.000000 0.742310 0.742310 Pd\n",
"nsites": 4,
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"elements": [
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"Ag",
"Pd"
],
"chemical_system": "Ag-In-Pd",
"density": 0.784096051621511,
"density_atomic": 0.004336764854887504,
"volume": 922.3465264647742,
"volume_molar": 138.8625152966984,
"formula_full": "In1 Ag1 Pd2",
"formula_reduced": "InAgPd2",
"formula_anonymous": "ABC2",
"energy": -10.04078789,
"energy_per_atom": -2.5101969725,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.04078789,
"band_gap": 0.3441999999999998,
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"total_magnetization": 6.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.891000Z",
"spacegroup": 71
},
{
"id": "mp-1097266",
"created_at": "2022-09-04T14:43:04.938043Z",
"structure_string": "Ta1 Ti1 W2\n1.0\n-4.640663 5.922616 8.383615\n4.640663 -5.922616 8.383615\n4.640663 5.922616 -8.383615\nTa Ti W\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.248448 0.248448 W\n0.000000 0.751552 0.751552 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ti",
"W"
],
"chemical_system": "Ta-Ti-W",
"density": 1.0746595273603614,
"density_atomic": 0.0043398534754066406,
"volume": 921.6901037483076,
"volume_molar": 138.76368854678282,
"formula_full": "Ta1 Ti1 W2",
"formula_reduced": "TaTiW2",
"formula_anonymous": "ABC2",
"energy": -25.77720534,
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"energy_above_hull": null,
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"energy_uncorrected": -25.77720534,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.279000Z",
"spacegroup": 71
},
{
"id": "mp-1096723",
"created_at": "2022-09-04T14:44:59.501780Z",
"structure_string": "Hf1 Sn1 Pd2\n1.0\n-4.957385 5.694347 8.159161\n4.957385 -5.694347 8.159161\n4.957385 5.694347 -8.159161\nHf Sn Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sn\n0.000000 0.268069 0.268069 Pd\n0.000000 0.731931 0.731931 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.9192873065824595,
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"volume": 921.3021211804296,
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"formula_full": "Hf1 Sn1 Pd2",
"formula_reduced": "HfSnPd2",
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"energy": -16.84613433,
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"updated_at": "2021-11-28T01:36:45.886000Z",
"spacegroup": 71
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{
"id": "mp-1097462",
"created_at": "2022-09-04T14:43:23.661274Z",
"structure_string": "Mg2 Cu1 Au1\n1.0\n-5.156107 5.618777 7.949932\n5.156107 -5.618777 7.949932\n5.156107 5.618777 -7.949932\nMg Cu Au\n2 1 1\ndirect\n0.000000 0.245385 0.245385 Mg\n0.000000 0.754615 0.754615 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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],
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"density": 0.5571763691384151,
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"volume": 921.2704102760258,
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"formula_full": "Mg2 Cu1 Au1",
"formula_reduced": "Mg2CuAu",
"formula_anonymous": "ABC2",
"energy": -6.43789735,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:12.980000Z",
"spacegroup": 71
},
{
"id": "mp-1096299",
"created_at": "2022-09-04T14:43:21.353508Z",
"structure_string": "Li2 Hg1 Sb1\n1.0\n-5.434846 5.526715 7.660605\n5.434846 -5.526715 7.660605\n5.434846 5.526715 -7.660605\nLi Hg Sb\n2 1 1\ndirect\n0.239994 0.000000 0.239994 Li\n0.760006 0.000000 0.760006 Li\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Li-Sb",
"density": 0.6066116801475472,
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"volume": 920.4016172343541,
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"formula_full": "Li2 Hg1 Sb1",
"formula_reduced": "Li2HgSb",
"formula_anonymous": "ABC2",
"energy": -5.90195086,
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"updated_at": "2021-11-28T01:36:20.502000Z",
"spacegroup": 71
}
]
}