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{
"id": "mp-1096316",
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"structure_string": "La2 Al1 In1\n1.0\n5.892396 9.981003 0.000000\n-5.892396 9.981003 0.000000\n0.000000 6.775382 9.662764\nLa Al In\n2 1 1\ndirect\n0.755926 0.244074 0.000000 La\n0.244074 0.755926 0.000000 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 In\n",
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{
"id": "mp-1098699",
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"updated_at": "2021-11-28T01:35:18.215000Z",
"spacegroup": 71
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{
"id": "mp-1096103",
"created_at": "2022-09-04T14:48:20.922894Z",
"structure_string": "Ca2 Hg1 Pt1\n1.0\n-5.814245 6.258198 8.840607\n5.814245 -6.258198 8.840607\n5.814245 6.258198 -8.840607\nCa Hg Pt\n2 1 1\ndirect\n0.000000 0.220629 0.220629 Ca\n0.000000 0.779371 0.779371 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.6140676427373019,
"density_atomic": 0.0031086747636789396,
"volume": 1286.721932681767,
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"formula_full": "Ca2 Hg1 Pt1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.045000Z",
"spacegroup": 71
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{
"id": "mp-1096441",
"created_at": "2022-09-04T14:43:09.755810Z",
"structure_string": "Ga2 Co1 Rh1\n1.0\n-4.741043 5.653974 7.590963\n4.741043 -5.653974 7.590963\n4.741043 5.653974 -7.590963\nGa Co Rh\n2 1 1\ndirect\n0.000000 0.250937 0.250937 Ga\n0.000000 0.749063 0.749063 Ga\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Co-Ga-Rh",
"density": 0.614669410549687,
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"volume": 813.9253355210266,
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"formula_full": "Ga2 Co1 Rh1",
"formula_reduced": "Ga2CoRh",
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"updated_at": "2021-11-28T01:36:05.059000Z",
"spacegroup": 71
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{
"id": "mp-1096380",
"created_at": "2022-09-04T14:43:06.020983Z",
"structure_string": "Mn1 V2 Ru1\n1.0\n-4.889604 5.054826 7.045011\n4.889604 -5.054826 7.045011\n4.889604 5.054826 -7.045011\nMn V Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.710690 0.000000 0.710690 V\n0.289310 0.000000 0.289310 V\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mn-Ru-V",
"density": 0.6148423786539672,
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"formula_full": "Mn1 V2 Ru1",
"formula_reduced": "MnV2Ru",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:56.058000Z",
"spacegroup": 71
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{
"id": "mp-1095715",
"created_at": "2022-09-04T14:47:12.155273Z",
"structure_string": "Ca1 La1 Rh2\n1.0\n-4.988206 6.073697 8.563048\n4.988206 -6.073697 8.563048\n4.988206 6.073697 -8.563048\nCa La Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.274798 0.274798 Rh\n0.000000 0.725202 0.725202 Rh\n",
"nsites": 4,
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"elements": [
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"La",
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"chemical_system": "Ca-La-Rh",
"density": 0.6157324567737875,
"density_atomic": 0.003854553862454186,
"volume": 1037.7335854513676,
"volume_molar": 156.2344430741906,
"formula_full": "Ca1 La1 Rh2",
"formula_reduced": "CaLaRh2",
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"energy_uncorrected": -17.64424294,
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"is_gap_direct": true,
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"total_magnetization": 9.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.581000Z",
"spacegroup": 71
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{
"id": "mp-1093619",
"created_at": "2022-09-04T14:42:28.969851Z",
"structure_string": "Sc1 Tl1 Ag2\n1.0\n-5.721337 5.814861 9.424273\n5.721337 -5.814861 9.424273\n5.721337 5.814861 -9.424273\nSc Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.247365 0.247365 Ag\n0.000000 0.752635 0.752635 Ag\n",
"nsites": 4,
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"elements": [
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"Tl",
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],
"chemical_system": "Ag-Sc-Tl",
"density": 0.6157833572165228,
"density_atomic": 0.0031894461549231124,
"volume": 1254.136237360755,
"volume_molar": 188.81462384008097,
"formula_full": "Sc1 Tl1 Ag2",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:52.841000Z",
"spacegroup": 71
},
{
"id": "mp-1096579",
"created_at": "2022-09-04T14:48:01.421852Z",
"structure_string": "K1 Ba1 Au2\n1.0\n-6.253271 6.592001 9.327025\n6.253271 -6.592001 9.327025\n6.253271 6.592001 -9.327025\nK Ba Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Ba\n0.000000 0.251434 0.251434 Au\n0.000000 0.748566 0.748566 Au\n",
"nsites": 4,
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"elements": [
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"Au"
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"density": 0.6158420245174586,
"density_atomic": 0.0026009520412138792,
"volume": 1537.898406666959,
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"formula_full": "K1 Ba1 Au2",
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"band_gap": 0.1646999999999998,
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"updated_at": "2021-11-28T01:38:23.972000Z",
"spacegroup": 71
},
{
"id": "mp-1096286",
"created_at": "2022-09-04T14:41:53.017811Z",
"structure_string": "Ta2 Al1 Re1\n1.0\n-4.879186 7.374992 10.772496\n4.879186 -7.374992 10.772496\n4.879186 7.374992 -10.772496\nTa Al Re\n2 1 1\ndirect\n0.000000 0.272469 0.272469 Ta\n0.000000 0.727531 0.727531 Ta\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6158789308556191,
"density_atomic": 0.002579732830850455,
"volume": 1550.5481622611785,
"volume_molar": 233.44048220740342,
"formula_full": "Ta2 Al1 Re1",
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"updated_at": "2021-11-28T01:35:39.528000Z",
"spacegroup": 71
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{
"id": "mp-1093891",
"created_at": "2022-09-04T14:45:08.440773Z",
"structure_string": "Al1 Zn1 Ni2\n1.0\n-8.023365 0.000000 -4.632291\n-8.041749 0.044393 4.664135\n-5.375965 7.584370 0.046862\nAl Zn Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Zn\n0.759130 0.000000 0.000000 Ni\n0.240870 0.000000 0.000000 Ni\n",
"nsites": 4,
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"density": 0.6162847501016978,
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"volume": 565.2313577046866,
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"formula_full": "Al1 Zn1 Ni2",
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"updated_at": "2021-11-28T01:36:56.359000Z",
"spacegroup": 71
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{
"id": "mp-1093613",
"created_at": "2022-09-04T14:41:59.804921Z",
"structure_string": "Y2 Ag1 Hg1\n1.0\n-5.907940 6.262561 8.848301\n5.907940 -6.262561 8.848301\n5.907940 6.262561 -8.848301\nY Ag Hg\n2 1 1\ndirect\n0.000000 0.251997 0.251997 Y\n0.000000 0.748003 0.748003 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
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"volume": 1309.507301975461,
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"updated_at": "2021-11-28T01:35:34.091000Z",
"spacegroup": 71
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{
"id": "mp-1097391",
"created_at": "2022-09-04T14:44:19.977502Z",
"structure_string": "Sc2 In1 Pt1\n1.0\n-5.328562 5.976856 8.449672\n5.328562 -5.976856 8.449672\n5.328562 5.976856 -8.449672\nSc In Pt\n2 1 1\ndirect\n0.000000 0.274887 0.274887 Sc\n0.000000 0.725113 0.725113 Sc\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pt\n",
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"density": 0.6167714264993092,
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"volume": 1076.422229685571,
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"formula_full": "Sc2 In1 Pt1",
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"updated_at": "2021-11-28T01:36:34.844000Z",
"spacegroup": 71
}
]
}