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{
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{
"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",
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"volume": 190.69696061733674,
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{
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"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",
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"elements": [
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"formula_full": "Ac2 In1 Ga1",
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"updated_at": "2021-11-28T01:35:21.172000Z",
"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,
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"elements": [
"Li",
"Ac",
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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",
"energy": -14.03540532,
"energy_per_atom": -3.50885133,
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"energy_uncorrected": -14.03540532,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.147000Z",
"spacegroup": 225
},
{
"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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],
"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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"energy_uncorrected": -13.81627708,
"band_gap": 0.2016,
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"total_magnetization": 0.0026135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.766000Z",
"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,
"nelements": 3,
"elements": [
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"Ga",
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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-1183054",
"created_at": "2022-09-04T14:47:56.452882Z",
"structure_string": "Ac2 Ga1 Si1\n1.0\n0.000000 3.888966 3.888966\n3.888966 0.000000 3.888966\n3.888966 3.888966 0.000000\nAc Ga Si\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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"Ga",
"Si"
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"chemical_system": "Ac-Ga-Si",
"density": 7.7894187033594156,
"density_atomic": 0.034003808122867143,
"volume": 117.63388340349002,
"volume_molar": 17.71019510003112,
"formula_full": "Ac2 Ga1 Si1",
"formula_reduced": "Ac2GaSi",
"formula_anonymous": "ABC2",
"energy": -18.07300591,
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"energy_above_hull": null,
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"energy_uncorrected": -18.14400591,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.346000Z",
"spacegroup": 225
},
{
"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",
"nsites": 4,
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"elements": [
"Sr",
"Ac",
"Ga"
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"chemical_system": "Ac-Ga-Sr",
"density": 6.204356107913191,
"density_atomic": 0.03291460344525335,
"volume": 121.52660464687581,
"volume_molar": 18.296257981708905,
"formula_full": "Sr1 Ac1 Ga2",
"formula_reduced": "SrAcGa2",
"formula_anonymous": "ABC2",
"energy": -13.4525122,
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"updated_at": "2021-11-28T01:36:42.068000Z",
"spacegroup": 225
},
{
"id": "mp-861884",
"created_at": "2022-09-04T14:46:54.868905Z",
"structure_string": "Ac1 Ga1 Te2\n1.0\n0.000000 3.992739 3.992739\n3.992739 0.000000 3.992739\n3.992739 3.992739 0.000000\nAc Ga Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Te\n0.750000 0.750000 0.750000 Te\n",
"nsites": 4,
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"elements": [
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"Ga",
"Te"
],
"chemical_system": "Ac-Ga-Te",
"density": 7.199209779346417,
"density_atomic": 0.03142079939917351,
"volume": 127.30420856527334,
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"formula_full": "Ac1 Ga1 Te2",
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"formula_anonymous": "ABC2",
"energy": -18.05225312,
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"updated_at": "2021-11-28T01:37:42.903000Z",
"spacegroup": 225
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{
"id": "mp-979981",
"created_at": "2022-09-04T14:41:58.913187Z",
"structure_string": "Ac1 Yb1 Ga2\n1.0\n0.000000 3.809474 3.809474\n3.809474 0.000000 3.809474\n3.809474 3.809474 0.000000\nAc Yb Ga\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n",
"nsites": 4,
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"elements": [
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"Yb",
"Ga"
],
"chemical_system": "Ac-Ga-Yb",
"density": 8.102223877883464,
"density_atomic": 0.036177200282127064,
"volume": 110.56687551292228,
"volume_molar": 16.64623219330538,
"formula_full": "Ac1 Yb1 Ga2",
"formula_reduced": "AcYbGa2",
"formula_anonymous": "ABC2",
"energy": -13.58717759,
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"updated_at": "2021-11-28T01:35:35.032000Z",
"spacegroup": 225
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{
"id": "mp-865535",
"created_at": "2022-09-04T14:39:49.911831Z",
"structure_string": "Ac2 Zn1 Ga1\n1.0\n0.000000 3.923763 3.923763\n3.923763 0.000000 3.923763\n3.923763 3.923763 0.000000\nAc Zn 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 Zn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"density": 8.096986441818661,
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"volume": 120.81985173294431,
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"formula_full": "Ac2 Zn1 Ga1",
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"updated_at": "2021-11-28T01:34:41.397000Z",
"spacegroup": 225
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{
"id": "mp-862665",
"created_at": "2022-09-04T14:40:35.036701Z",
"structure_string": "Ac2 Ge6\n1.0\n3.322268 -5.754336 0.000000\n3.322268 5.754336 0.000000\n0.000000 0.000000 4.968041\nAc Ge\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.136989 0.273977 0.250000 Ge\n0.726023 0.863011 0.250000 Ge\n0.136989 0.863011 0.250000 Ge\n0.863011 0.726023 0.750000 Ge\n0.273977 0.136989 0.750000 Ge\n0.863011 0.136989 0.750000 Ge\n",
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"formula_full": "Ac2 Ge6",
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"updated_at": "2021-11-28T01:34:52.278000Z",
"spacegroup": 194
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{
"id": "mp-861872",
"created_at": "2022-09-04T14:47:46.282690Z",
"structure_string": "Ac2 Hg1 Ge1\n1.0\n0.000000 3.976132 3.976132\n3.976132 0.000000 3.976132\n3.976132 3.976132 0.000000\nAc Hg Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"density": 9.605246329241522,
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"formula_full": "Ac2 Hg1 Ge1",
"formula_reduced": "Ac2HgGe",
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"updated_at": "2021-11-28T01:38:21.543000Z",
"spacegroup": 225
}
]
}