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"results": [
{
"id": "mp-1187170",
"created_at": "2022-09-04T14:44:53.250333Z",
"structure_string": "Sr1 Ac1 Ga2\n1.0\n0.000000 3.931399 3.931399\n3.931399 0.000000 3.931399\n3.931399 3.931399 0.000000\nSr Ac Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ac\n0.750000 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ga\n",
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{
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"updated_at": "2021-11-28T01:38:22.346000Z",
"spacegroup": 225
},
{
"id": "mp-1183053",
"created_at": "2022-09-04T14:43:54.994972Z",
"structure_string": "Ac1 Ga1 O3\n1.0\n3.977450 0.000000 0.000000\n0.000000 3.977450 0.000000\n0.000000 0.000000 3.977450\nAc Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ac-Ga-O",
"density": 9.097098637430856,
"density_atomic": 0.07946132776450215,
"volume": 62.923690563268636,
"volume_molar": 7.578706434213749,
"formula_full": "Ac1 Ga1 O3",
"formula_reduced": "AcGaO3",
"formula_anonymous": "ABC3",
"energy": -37.30941713,
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"energy_uncorrected": -35.24841713,
"band_gap": 2.895900000000001,
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"is_magnetic": false,
"total_magnetization": 8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.233000Z",
"spacegroup": 221
},
{
"id": "mp-1183074",
"created_at": "2022-09-04T14:46:29.037463Z",
"structure_string": "Ac2 Mg1 Ga1\n1.0\n0.000000 4.010121 4.010121\n4.010121 0.000000 4.010121\n4.010121 4.010121 0.000000\nAc Mg Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Ac-Ga-Mg",
"density": 7.055851286179444,
"density_atomic": 0.031013984425382463,
"volume": 128.974076504866,
"volume_molar": 19.417501077582795,
"formula_full": "Ac2 Mg1 Ga1",
"formula_reduced": "Ac2MgGa",
"formula_anonymous": "ABC2",
"energy": -13.81627708,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.766000Z",
"spacegroup": 225
},
{
"id": "mp-862613",
"created_at": "2022-09-04T14:42:22.605532Z",
"structure_string": "Li1 Ac2 Ga1\n1.0\n0.000000 3.951104 3.951104\n3.951104 0.000000 3.951104\n3.951104 3.951104 0.000000\nLi Ac Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga"
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"chemical_system": "Ac-Ga-Li",
"density": 7.143044314127426,
"density_atomic": 0.032424598864410306,
"volume": 123.36312984863034,
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"formula_full": "Li1 Ac2 Ga1",
"formula_reduced": "LiAc2Ga",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"total_magnetization": 0.00048,
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"updated_at": "2021-11-28T01:35:49.147000Z",
"spacegroup": 225
},
{
"id": "mp-1183377",
"created_at": "2022-09-04T14:40:57.629474Z",
"structure_string": "Ac2 In1 Ga1\n1.0\n0.000000 4.039104 4.039104\n4.039104 0.000000 4.039104\n4.039104 4.039104 0.000000\nAc In Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
"Ac",
"In",
"Ga"
],
"chemical_system": "Ac-Ga-In",
"density": 8.045495252419967,
"density_atomic": 0.03035113166467208,
"volume": 131.7908025372212,
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"formula_full": "Ac2 In1 Ga1",
"formula_reduced": "Ac2InGa",
"formula_anonymous": "ABC2",
"energy": -15.60809668,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.172000Z",
"spacegroup": 225
},
{
"id": "mp-867815",
"created_at": "2022-09-04T14:43:59.786173Z",
"structure_string": "Ac2 Ga6\n1.0\n3.420561 -5.924586 0.000000\n3.420561 5.924586 0.000000\n0.000000 0.000000 4.704987\nAc Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.135606 0.271211 0.250000 Ga\n0.728789 0.864394 0.250000 Ga\n0.135606 0.864394 0.250000 Ga\n0.864394 0.728789 0.750000 Ga\n0.271211 0.135606 0.750000 Ga\n0.864394 0.135606 0.750000 Ga\n",
"nsites": 8,
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"elements": [
"Ac",
"Ga"
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"chemical_system": "Ac-Ga",
"density": 7.596090276375485,
"density_atomic": 0.041951376540569255,
"volume": 190.69696061733674,
"volume_molar": 14.35504924177223,
"formula_full": "Ac2 Ga6",
"formula_reduced": "AcGa3",
"formula_anonymous": "AB3",
"energy": -30.66552448,
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"updated_at": "2021-11-28T01:36:07.355000Z",
"spacegroup": 194
},
{
"id": "mp-36526",
"created_at": "2022-09-04T14:46:53.951712Z",
"structure_string": "Ac1 O1 F1\n1.0\n0.000000 2.987920 2.987920\n2.987920 0.000000 2.987920\n2.987920 2.987920 0.000000\nAc O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 F\n",
"nsites": 3,
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"elements": [
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"density": 8.1547350603966,
"density_atomic": 0.05623210783988715,
"volume": 53.35030314961817,
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"formula_full": "Ac1 O1 F1",
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"formula_anonymous": "ABC",
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"total_magnetization": 7.73e-05,
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"updated_at": "2021-11-28T01:37:40.925000Z",
"spacegroup": 216
},
{
"id": "mp-861502",
"created_at": "2022-09-04T14:41:26.021085Z",
"structure_string": "Ac1 Fe1 O3\n1.0\n4.014353 0.000000 0.000000\n0.000000 4.014353 0.000000\n0.000000 0.000000 4.014353\nAc Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 8.492286403675113,
"density_atomic": 0.07729000341376097,
"volume": 64.69141906014956,
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"formula_full": "Ac1 Fe1 O3",
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"updated_at": "2021-11-28T01:35:20.013000Z",
"spacegroup": 221
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{
"id": "mp-985278",
"created_at": "2022-09-04T14:44:19.956369Z",
"structure_string": "Ac1 F3\n1.0\n-2.003344 2.003344 3.446736\n2.003344 -2.003344 3.446736\n2.003344 2.003344 -3.446736\nAc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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"updated_at": "2021-11-28T01:36:33.482000Z",
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{
"id": "mp-977360",
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"structure_string": "Ac1 F3\n1.0\n0.000000 3.021662 3.021662\n3.021662 0.000000 3.021662\n3.021662 3.021662 0.000000\nAc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n0.500000 0.500000 0.500000 F\n",
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{
"id": "mp-1183124",
"created_at": "2022-09-04T14:45:41.110944Z",
"structure_string": "Ac1 Eu1 Zn2\n1.0\n0.000000 3.872601 3.872601\n3.872601 0.000000 3.872601\n3.872601 3.872601 0.000000\nAc Eu Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"updated_at": "2021-11-28T01:37:16.427000Z",
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}
]
}