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{
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"results": [
{
"id": "mp-1097573",
"created_at": "2022-09-04T14:47:03.655513Z",
"structure_string": "Na1 Tl2 Pt1\n1.0\n-5.752756 6.656465 9.391074\n5.752756 -6.656465 9.391074\n5.752756 6.656465 -9.391074\nNa Tl Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.274343 0.274343 Tl\n0.000000 0.725657 0.725657 Tl\n0.000000 0.500000 0.500000 Pt\n",
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"volume": 1438.4502992302869,
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{
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"elements": [
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"updated_at": "2021-11-28T01:36:06.459000Z",
"spacegroup": 71
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{
"id": "mp-1097132",
"created_at": "2022-09-04T14:44:25.802518Z",
"structure_string": "Y2 Hg1 Pb1\n1.0\n-6.079115 6.407680 9.229560\n6.079115 -6.407680 9.229560\n6.079115 6.407680 -9.229560\nY Hg Pb\n2 1 1\ndirect\n0.000000 0.266968 0.266968 Y\n0.000000 0.733032 0.733032 Y\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6761908091192732,
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"volume": 1438.0770741086023,
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"formula_full": "Y2 Hg1 Pb1",
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"updated_at": "2021-11-28T01:36:36.880000Z",
"spacegroup": 71
},
{
"id": "mp-1097685",
"created_at": "2022-09-04T14:45:57.962550Z",
"structure_string": "Na1 Y1 In2\n1.0\n-6.202577 6.475940 8.950473\n6.202577 -6.475940 8.950473\n6.202577 6.475940 -8.950473\nNa Y In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.251564 0.251564 In\n0.000000 0.748436 0.748436 In\n",
"nsites": 4,
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"elements": [
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"Y",
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],
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"density": 0.3943656280090827,
"density_atomic": 0.0027814997962460025,
"volume": 1438.073087547417,
"volume_molar": 216.5069639094587,
"formula_full": "Na1 Y1 In2",
"formula_reduced": "NaYIn2",
"formula_anonymous": "ABC2",
"energy": -7.25419211,
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"energy_uncorrected": -7.25419211,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:10.316000Z",
"spacegroup": 71
},
{
"id": "mp-1096024",
"created_at": "2022-09-04T14:41:59.345155Z",
"structure_string": "La1 Mg1 In2\n1.0\n-5.908677 6.546388 9.290393\n5.908677 -6.546388 9.290393\n5.908677 6.546388 -9.290393\nLa Mg In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.247562 0.247562 In\n0.000000 0.752438 0.752438 In\n",
"nsites": 4,
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"elements": [
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"chemical_system": "In-La-Mg",
"density": 0.4538223533380215,
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"volume": 1437.427896208152,
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"formula_full": "La1 Mg1 In2",
"formula_reduced": "LaMgIn2",
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"energy": -5.96633085,
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"energy_uncorrected": -5.96633085,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.354000Z",
"spacegroup": 71
},
{
"id": "mp-1093681",
"created_at": "2022-09-04T14:43:45.742749Z",
"structure_string": "Ca1 In1 Ag2\n1.0\n-5.789687 6.618928 9.372994\n5.789687 -6.618928 9.372994\n5.789687 6.618928 -9.372994\nCa In Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 In\n0.000000 0.254820 0.254820 Ag\n0.000000 0.745180 0.745180 Ag\n",
"nsites": 4,
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"elements": [
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"In",
"Ag"
],
"chemical_system": "Ag-Ca-In",
"density": 0.4283624623884554,
"density_atomic": 0.0027840621010952727,
"volume": 1436.7495604449223,
"volume_molar": 216.30770224668626,
"formula_full": "Ca1 In1 Ag2",
"formula_reduced": "CaInAg2",
"formula_anonymous": "ABC2",
"energy": -6.21533922,
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"energy_uncorrected": -6.21533922,
"band_gap": 0.0,
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"total_magnetization": 0.0009741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.594000Z",
"spacegroup": 71
},
{
"id": "mp-1096537",
"created_at": "2022-09-04T14:43:15.784460Z",
"structure_string": "Li1 Ca1 Pb2\n1.0\n-5.827191 6.601356 9.333817\n5.827191 -6.601356 9.333817\n5.827191 6.601356 -9.333817\nLi Ca Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.239217 0.239217 Pb\n0.000000 0.760783 0.760783 Pb\n",
"nsites": 4,
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"elements": [
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"Ca",
"Pb"
],
"chemical_system": "Ca-Li-Pb",
"density": 0.5334981164621827,
"density_atomic": 0.002785148209016458,
"volume": 1436.1892796407242,
"volume_molar": 216.22334999998608,
"formula_full": "Li1 Ca1 Pb2",
"formula_reduced": "LiCaPb2",
"formula_anonymous": "ABC2",
"energy": -6.79234283,
"energy_per_atom": -1.6980857075,
"energy_above_hull": null,
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"energy_uncorrected": -6.79234283,
"band_gap": 0.1188000000000002,
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"total_magnetization": 4.9997736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.413000Z",
"spacegroup": 71
},
{
"id": "mp-1096653",
"created_at": "2022-09-04T14:39:34.363138Z",
"structure_string": "Y2 Ag1 Pb1\n1.0\n-5.842950 6.613923 9.285546\n5.842950 -6.613923 9.285546\n5.842950 6.613923 -9.285546\nY Ag Pb\n2 1 1\ndirect\n0.000000 0.255946 0.255946 Y\n0.000000 0.744054 0.744054 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"Ag",
"Pb"
],
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"density": 0.5702055807808621,
"density_atomic": 0.0027867707900334914,
"volume": 1435.353066820371,
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"formula_full": "Y2 Ag1 Pb1",
"formula_reduced": "Y2AgPb",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.869000Z",
"spacegroup": 71
},
{
"id": "mp-1096669",
"created_at": "2022-09-04T14:41:18.459220Z",
"structure_string": "Tl2 Hg1 Pb1\n1.0\n-5.942191 6.535831 9.233616\n5.942191 -6.535831 9.233616\n5.942191 6.535831 -9.233616\nTl Hg Pb\n2 1 1\ndirect\n0.000000 0.257294 0.257294 Tl\n0.000000 0.742706 0.742706 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
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"density": 0.9452706398991341,
"density_atomic": 0.00278856498213845,
"volume": 1434.429545526511,
"volume_molar": 215.95841583658697,
"formula_full": "Tl2 Hg1 Pb1",
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"updated_at": "2021-11-28T01:35:25.895000Z",
"spacegroup": 71
},
{
"id": "mp-1207367",
"created_at": "2022-09-04T14:42:11.540409Z",
"structure_string": "Fe1 Cl6\n1.0\n4.838087 -6.457972 0.000000\n4.838087 6.457972 0.000000\n0.000000 0.000000 40.136177\nFe Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.249966 Cl\n0.000000 0.000000 0.750034 Cl\n0.276738 0.040522 0.000000 Cl\n0.723262 0.959478 0.000000 Cl\n0.040522 0.276738 0.000000 Cl\n0.959478 0.723262 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Cl-Fe",
"density": 0.17781133666659885,
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"volume": 2508.047921485916,
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"formula_full": "Fe1 Cl6",
"formula_reduced": "FeCl6",
"formula_anonymous": "AB6",
"energy": -22.19696526,
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"updated_at": "2021-11-28T01:35:38.087000Z",
"spacegroup": 65
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{
"id": "mp-1096612",
"created_at": "2022-09-04T14:48:16.236432Z",
"structure_string": "Mg2 Tl1 Cd1\n1.0\n-6.240350 6.504374 8.823433\n6.240350 -6.504374 8.823433\n6.240350 6.504374 -8.823433\nMg Tl Cd\n2 1 1\ndirect\n0.248040 0.000000 0.248040 Mg\n0.751960 0.000000 0.751960 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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],
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"density": 0.4235558788384849,
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"volume": 1432.5574158421869,
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"formula_full": "Mg2 Tl1 Cd1",
"formula_reduced": "Mg2TlCd",
"formula_anonymous": "ABC2",
"energy": -1.84454106,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:40:09.403000Z",
"spacegroup": 71
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{
"id": "mp-1096078",
"created_at": "2022-09-04T14:47:29.586320Z",
"structure_string": "In1 Bi1 Pb2\n1.0\n-6.118055 6.397306 9.148473\n6.118055 -6.397306 9.148473\n6.118055 6.397306 -9.148473\nIn Bi Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n0.000000 0.265335 0.265335 Pb\n0.000000 0.734665 0.734665 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Bi-In-Pb",
"density": 0.8558607174762815,
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"volume": 1432.2508990904635,
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"formula_full": "In1 Bi1 Pb2",
"formula_reduced": "InBiPb2",
"formula_anonymous": "ABC2",
"energy": -9.28400837,
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"energy_uncorrected": -9.28400837,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:12.856000Z",
"spacegroup": 71
}
]
}