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{
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"results": [
{
"id": "mp-1096267",
"created_at": "2022-09-04T14:42:51.534931Z",
"structure_string": "Ca1 Pb1 Au2\n1.0\n-5.546765 5.797597 9.138252\n5.546765 -5.797597 9.138252\n5.546765 5.797597 -9.138252\nCa Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.245413 0.245413 Au\n0.000000 0.754587 0.754587 Au\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:37:59.487000Z",
"spacegroup": 71
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{
"id": "mp-1093853",
"created_at": "2022-09-04T14:41:04.397309Z",
"structure_string": "Sc2 Zn1 Cd1\n1.0\n-5.759831 5.976439 8.520642\n5.759831 -5.976439 8.520642\n5.759831 5.976439 -8.520642\nSc Zn Cd\n2 1 1\ndirect\n0.000000 0.241030 0.241030 Sc\n0.000000 0.758970 0.758970 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"Cd"
],
"chemical_system": "Cd-Sc-Zn",
"density": 0.37893485337545485,
"density_atomic": 0.0034093803158574978,
"volume": 1173.2337344107516,
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"formula_full": "Sc2 Zn1 Cd1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:08.745000Z",
"spacegroup": 71
},
{
"id": "mp-1093689",
"created_at": "2022-09-04T14:41:57.928376Z",
"structure_string": "Y1 Tl1 Au2\n1.0\n-5.733112 6.010314 8.501231\n5.733112 -6.010314 8.501231\n5.733112 6.010314 -8.501231\nY Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.246265 0.246265 Au\n0.000000 0.753735 0.753735 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
"chemical_system": "Au-Tl-Y",
"density": 0.9739057664161073,
"density_atomic": 0.0034137412111175866,
"volume": 1171.7349830072458,
"volume_molar": 176.40882502714607,
"formula_full": "Y1 Tl1 Au2",
"formula_reduced": "YTlAu2",
"formula_anonymous": "ABC2",
"energy": -11.14051325,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:35.193000Z",
"spacegroup": 71
},
{
"id": "mp-1093947",
"created_at": "2022-09-04T14:45:29.305358Z",
"structure_string": "Sr2 Cu1 Pd1\n1.0\n-5.743624 6.008000 8.487450\n5.743624 -6.008000 8.487450\n5.743624 6.008000 -8.487450\nSr Cu Pd\n2 1 1\ndirect\n0.000000 0.262651 0.262651 Sr\n0.000000 0.737349 0.737349 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Pd-Sr",
"density": 0.48929895393403233,
"density_atomic": 0.0034143406259796055,
"volume": 1171.5292755398016,
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"formula_full": "Sr2 Cu1 Pd1",
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"formula_anonymous": "ABC2",
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"energy_uncorrected": -8.46696113,
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"updated_at": "2021-11-28T01:36:58.556000Z",
"spacegroup": 71
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{
"id": "mp-1097324",
"created_at": "2022-09-04T14:44:53.692484Z",
"structure_string": "Hf2 Zn1 Hg1\n1.0\n-5.669606 6.111512 8.438945\n5.669606 -6.111512 8.438945\n5.669606 6.111512 -8.438945\nHf Zn Hg\n2 1 1\ndirect\n0.000000 0.244812 0.244812 Hf\n0.000000 0.755188 0.755188 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
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"elements": [
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"Zn",
"Hg"
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"density": 0.8844490276063907,
"density_atomic": 0.003419875495727116,
"volume": 1169.6332234894828,
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"formula_full": "Hf2 Zn1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:42.923000Z",
"spacegroup": 71
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{
"id": "mp-1093739",
"created_at": "2022-09-04T14:43:07.588531Z",
"structure_string": "Zr1 Ag1 Hg2\n1.0\n-5.749821 6.047442 8.409362\n5.749821 -6.047442 8.409362\n5.749821 6.047442 -8.409362\nZr Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.259519 0.259519 Hg\n0.000000 0.740481 0.740481 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
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"chemical_system": "Ag-Hg-Zr",
"density": 0.8522131910734714,
"density_atomic": 0.003419880378232928,
"volume": 1169.6315536237623,
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"formula_full": "Zr1 Ag1 Hg2",
"formula_reduced": "ZrAgHg2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.401000Z",
"spacegroup": 71
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{
"id": "mp-1227541",
"created_at": "2022-09-04T14:47:28.967368Z",
"structure_string": "Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n",
"nsites": 1,
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"elements": [
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"volume": 292.3682938336179,
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"formula_full": "Ca1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.019000Z",
"spacegroup": 123
},
{
"id": "mp-1097220",
"created_at": "2022-09-04T14:46:11.526369Z",
"structure_string": "Sc2 Zn1 Hg1\n1.0\n-5.723503 6.047359 8.444649\n5.723503 -6.047359 8.444649\n5.723503 6.047359 -8.444649\nSc Zn Hg\n2 1 1\ndirect\n0.000000 0.247925 0.247925 Sc\n0.000000 0.752075 0.752075 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Zn",
"Hg"
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"density": 0.5054998525850921,
"density_atomic": 0.0034212966419685862,
"volume": 1169.1473784916916,
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"formula_full": "Sc2 Zn1 Hg1",
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"updated_at": "2021-11-28T01:37:18.727000Z",
"spacegroup": 71
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{
"id": "mp-1093978",
"created_at": "2022-09-04T14:42:48.524630Z",
"structure_string": "Y2 Cd1 Ir1\n1.0\n-5.690332 5.980446 8.588684\n5.690332 -5.980446 8.588684\n5.690332 5.980446 -8.588684\nY Cd Ir\n2 1 1\ndirect\n0.000000 0.285298 0.285298 Y\n0.000000 0.714702 0.714702 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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],
"chemical_system": "Cd-Ir-Y",
"density": 0.6852268017501794,
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"volume": 1169.116513076576,
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"formula_full": "Y2 Cd1 Ir1",
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"updated_at": "2021-11-28T01:35:49.629000Z",
"spacegroup": 71
},
{
"id": "mp-1097110",
"created_at": "2022-09-04T14:44:49.590116Z",
"structure_string": "Y1 Sc1 Ag2\n1.0\n-5.593343 6.026628 8.655981\n5.593343 -6.026628 8.655981\n5.593343 6.026628 -8.655981\nY Sc Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244602 0.244602 Ag\n0.000000 0.755398 0.755398 Ag\n",
"nsites": 4,
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"volume": 1167.1377688512632,
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"formula_full": "Y1 Sc1 Ag2",
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"updated_at": "2021-11-28T01:36:45.462000Z",
"spacegroup": 71
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{
"id": "mp-1093961",
"created_at": "2022-09-04T14:47:22.363537Z",
"structure_string": "Sc2 In1 Cu1\n1.0\n-5.538293 6.116390 8.612101\n5.538293 -6.116390 8.612101\n5.538293 6.116390 -8.612101\nSc In Cu\n2 1 1\ndirect\n0.000000 0.234560 0.234560 Sc\n0.000000 0.765440 0.765440 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"density": 0.38176000832671436,
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"volume": 1166.9176358437655,
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"formula_full": "Sc2 In1 Cu1",
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"updated_at": "2021-11-28T01:38:06.854000Z",
"spacegroup": 71
}
]
}