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{
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"results": [
{
"id": "mp-1016231",
"created_at": "2022-09-04T14:39:22.643847Z",
"structure_string": "Cs1 Mg3\n1.0\n3.752604 0.000000 0.000000\n0.000000 4.900757 0.000000\n0.000000 0.000000 8.434517\nCs Mg\n1 3\ndirect\n0.500000 0.000000 0.137593 Cs\n0.000000 0.000000 0.664189 Mg\n0.000000 0.500000 0.449180 Mg\n0.500000 0.500000 0.749038 Mg\n",
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"formula_full": "Cs1 Mg3",
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{
"id": "mp-1095904",
"created_at": "2022-09-04T14:42:44.022552Z",
"structure_string": "Ba2 Hg1 Au1\n1.0\n-6.716582 6.903016 9.508558\n6.716582 -6.903016 9.508558\n6.716582 6.903016 -9.508558\nBa Hg Au\n2 1 1\ndirect\n0.230495 0.000000 0.230495 Ba\n0.769505 0.000000 0.769505 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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"elements": [
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"formula_full": "Ba2 Hg1 Au1",
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"updated_at": "2021-11-28T01:35:53.271000Z",
"spacegroup": 71
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{
"id": "mp-1059160",
"created_at": "2022-09-04T14:41:33.689961Z",
"structure_string": "Br1 N1\n1.0\n3.047445 0.000000 0.000000\n0.000000 3.047445 0.000000\n0.000000 0.000000 3.047445\nBr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
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"elements": [
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"density": 5.510062771631311,
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"volume": 28.30138105224965,
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"formula_full": "Br1 N1",
"formula_reduced": "BrN",
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"energy": -4.5996594,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.343000Z",
"spacegroup": 221
},
{
"id": "mp-1094712",
"created_at": "2022-09-04T14:41:56.415541Z",
"structure_string": "Sr2 Mg2\n1.0\n3.009909 -5.213316 0.000000\n3.009909 5.213316 0.000000\n0.000000 0.000000 7.102601\nSr Mg\n2 2\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n",
"nsites": 4,
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"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 1.6675980043831855,
"density_atomic": 0.01794507021123273,
"volume": 222.90244356336913,
"volume_molar": 33.558747272164126,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -4.6077244,
"energy_per_atom": -1.1519311,
"energy_above_hull": null,
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"energy_uncorrected": -4.6077244,
"band_gap": 0.0,
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"total_magnetization": 1.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.547000Z",
"spacegroup": 194
},
{
"id": "mp-1096082",
"created_at": "2022-09-04T14:40:57.794248Z",
"structure_string": "Li2 Hg1 Pb1\n1.0\n-5.612952 5.769522 8.125930\n5.612952 -5.769522 8.125930\n5.612952 5.769522 -8.125930\nLi Hg Pb\n2 1 1\ndirect\n0.000000 0.255138 0.255138 Li\n0.000000 0.744862 0.744862 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Li-Pb",
"density": 0.6652113200672354,
"density_atomic": 0.003800106439104034,
"volume": 1052.6020952568622,
"volume_molar": 158.47294954769384,
"formula_full": "Li2 Hg1 Pb1",
"formula_reduced": "Li2HgPb",
"formula_anonymous": "ABC2",
"energy": -4.6086178,
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"energy_uncorrected": -4.6086178,
"band_gap": 0.0074,
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"updated_at": "2021-11-28T01:35:01.311000Z",
"spacegroup": 71
},
{
"id": "mp-975461",
"created_at": "2022-09-04T14:41:04.670946Z",
"structure_string": "Hg3 Sb1\n1.0\n-2.201044 2.201044 5.416847\n2.201044 -2.201044 5.416847\n2.201044 2.201044 -5.416847\nHg Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Sb"
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"chemical_system": "Hg-Sb",
"density": 11.44568083727849,
"density_atomic": 0.038106229801083906,
"volume": 104.969712849583,
"volume_molar": 15.803559657924238,
"formula_full": "Hg3 Sb1",
"formula_reduced": "Hg3Sb",
"formula_anonymous": "AB3",
"energy": -4.61293899,
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"energy_above_hull": null,
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"energy_uncorrected": -4.42093899,
"band_gap": 0.0,
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"total_magnetization": 0.001302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.832000Z",
"spacegroup": 139
},
{
"id": "mp-7163",
"created_at": "2022-09-04T14:40:14.908624Z",
"structure_string": "Tb1\n1.0\n0.000000 2.517929 2.517929\n2.517929 0.000000 2.517929\n2.517929 2.517929 0.000000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.265741875915388,
"density_atomic": 0.03132128454006295,
"volume": 31.927170762134715,
"volume_molar": 19.226991639813175,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.61548096,
"energy_per_atom": -4.61548096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61548096,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0023243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.487000Z",
"spacegroup": 225
},
{
"id": "mp-978533",
"created_at": "2022-09-04T14:48:08.522592Z",
"structure_string": "Si1 Hg3\n1.0\n-2.158251 2.158251 4.975199\n2.158251 -2.158251 4.975199\n2.158251 2.158251 -4.975199\nSi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Hg"
],
"chemical_system": "Hg-Si",
"density": 11.28276841356198,
"density_atomic": 0.04315048106902803,
"volume": 92.69885064783358,
"volume_molar": 13.956138172286774,
"formula_full": "Si1 Hg3",
"formula_reduced": "SiHg3",
"formula_anonymous": "AB3",
"energy": -4.61672328,
"energy_per_atom": -1.15418082,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:30.838000Z",
"spacegroup": 139
},
{
"id": "mp-972364",
"created_at": "2022-09-04T14:40:43.046609Z",
"structure_string": "Yb3\n1.0\n9.508741 -1.939487 0.000000\n9.508741 1.939487 0.000000\n9.113146 0.000000 3.335916\nYb\n3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.222416 0.222416 0.222416 Yb\n0.777584 0.777584 0.777584 Yb\n",
"nsites": 3,
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"elements": [
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],
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"density": 7.005866629959364,
"density_atomic": 0.024381827904520453,
"volume": 123.04245652737924,
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"formula_full": "Yb3",
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"formula_anonymous": "A",
"energy": -4.61882484,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:06.708000Z",
"spacegroup": 166
},
{
"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",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Li-Mg",
"density": 0.214152899119336,
"density_atomic": 0.00433145722597345,
"volume": 923.476740348288,
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"formula_full": "Li1 Mg2 Cu1",
"formula_reduced": "LiMg2Cu",
"formula_anonymous": "ABC2",
"energy": -4.61967196,
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"total_magnetization": 8.4e-05,
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"updated_at": "2021-11-28T01:36:05.595000Z",
"spacegroup": 71
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{
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"created_at": "2022-09-04T14:45:56.396145Z",
"structure_string": "Nd1\n1.0\n-2.066667 2.066667 2.066667\n2.066667 -2.066667 2.066667\n2.066667 2.066667 -2.066667\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
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"volume": 35.307868936299045,
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"updated_at": "2021-11-28T01:37:13.846000Z",
"spacegroup": 229
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{
"id": "mp-632319",
"created_at": "2022-09-04T14:39:23.697847Z",
"structure_string": "Cs1 H1\n1.0\n3.858608 0.000000 0.000000\n0.000000 3.858608 0.000000\n0.000000 0.000000 3.858608\nCs H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 H\n",
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"volume": 57.45025770585188,
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"formula_full": "Cs1 H1",
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"updated_at": "2021-11-28T01:34:38.697000Z",
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}
]
}