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{
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{
"id": "mp-30274",
"created_at": "2022-09-04T14:45:38.202642Z",
"structure_string": "Ac2 Br2 O2\n1.0\n4.310625 0.000000 0.000000\n0.000000 4.310625 0.000000\n0.000000 0.000000 7.697091\nAc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.837088 Ac\n0.500000 0.000000 0.162912 Ac\n0.500000 0.000000 0.636554 Br\n0.000000 0.500000 0.363446 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Ca2 Ac6\n1.0\n3.999572 -6.927461 0.000000\n3.999572 6.927461 0.000000\n0.000000 0.000000 6.421881\nCa Ac\n2 6\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.166998 0.333995 0.250000 Ac\n0.666005 0.833002 0.250000 Ac\n0.166998 0.833002 0.250000 Ac\n0.833002 0.666005 0.750000 Ac\n0.333995 0.166998 0.750000 Ac\n0.833002 0.166998 0.750000 Ac\n",
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{
"id": "mp-1183486",
"created_at": "2022-09-04T14:48:15.199577Z",
"structure_string": "Ca3 Ac1\n1.0\n0.000000 4.382544 4.382544\n4.382544 0.000000 4.382544\n4.382544 4.382544 0.000000\nCa Ac\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Ca",
"density": 3.425015095616398,
"density_atomic": 0.023760257368869046,
"volume": 168.34834479700731,
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"formula_full": "Ca3 Ac1",
"formula_reduced": "Ca3Ac",
"formula_anonymous": "AB3",
"energy": -9.90892842,
"energy_per_atom": -2.477232105,
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"energy_uncorrected": -9.90892842,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:24.001000Z",
"spacegroup": 225
},
{
"id": "mp-1183472",
"created_at": "2022-09-04T14:48:06.580656Z",
"structure_string": "Ca1 Ac1 Ga2\n1.0\n0.000000 3.822888 3.822888\n3.822888 0.000000 3.822888\n3.822888 3.822888 0.000000\nCa Ac Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ac\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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"chemical_system": "Ac-Ca-Ga",
"density": 6.0413023047837475,
"density_atomic": 0.035797712180036446,
"volume": 111.73898432064345,
"volume_molar": 16.822697298958694,
"formula_full": "Ca1 Ac1 Ga2",
"formula_reduced": "CaAcGa2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:30.570000Z",
"spacegroup": 225
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{
"id": "mp-865173",
"created_at": "2022-09-04T14:48:08.467184Z",
"structure_string": "Ca1 Ac1 Hg2\n1.0\n0.000000 3.945875 3.945875\n3.945875 0.000000 3.945875\n3.945875 3.945875 0.000000\nCa Ac Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"density": 9.030947104710636,
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"volume": 122.8739912549336,
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"formula_full": "Ca1 Ac1 Hg2",
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"formula_anonymous": "ABC2",
"energy": -8.95463387,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:31.047000Z",
"spacegroup": 225
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{
"id": "mp-985450",
"created_at": "2022-09-04T14:46:21.448396Z",
"structure_string": "Ca1 Ac1 In2\n1.0\n0.000000 4.011272 4.011272\n4.011272 0.000000 4.011272\n4.011272 4.011272 0.000000\nCa Ac In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
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"Ac",
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"chemical_system": "Ac-Ca-In",
"density": 6.389680848926391,
"density_atomic": 0.030987294497041552,
"volume": 129.08516425601118,
"volume_molar": 19.434225729435497,
"formula_full": "Ca1 Ac1 In2",
"formula_reduced": "CaAcIn2",
"formula_anonymous": "ABC2",
"energy": -13.40456939,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.078000Z",
"spacegroup": 225
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{
"id": "mp-1183488",
"created_at": "2022-09-04T14:46:17.268932Z",
"structure_string": "Ca1 Ac1 Mg2\n1.0\n0.000000 4.052136 4.052136\n4.052136 0.000000 4.052136\n4.052136 4.052136 0.000000\nCa Ac Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ac\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
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"elements": [
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"Ac",
"Mg"
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"chemical_system": "Ac-Ca-Mg",
"density": 3.9393551546925067,
"density_atomic": 0.030059237289207237,
"volume": 133.07057532814378,
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"formula_full": "Ca1 Ac1 Mg2",
"formula_reduced": "CaAcMg2",
"formula_anonymous": "ABC2",
"energy": -9.69234066,
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"updated_at": "2021-11-28T01:37:26.766000Z",
"spacegroup": 225
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{
"id": "mp-1183483",
"created_at": "2022-09-04T14:40:27.825630Z",
"structure_string": "Ca1 Ac1 Rh2\n1.0\n0.000000 3.580806 3.580806\n3.580806 0.000000 3.580806\n3.580806 3.580806 0.000000\nCa Ac Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ac\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
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"chemical_system": "Ac-Ca-Rh",
"density": 8.55137468968357,
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"volume": 91.82741806562849,
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"formula_full": "Ca1 Ac1 Rh2",
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"updated_at": "2021-11-28T01:34:57.449000Z",
"spacegroup": 225
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{
"id": "mp-1183500",
"created_at": "2022-09-04T14:45:27.024075Z",
"structure_string": "Ca1 Ac1 Tl2\n1.0\n0.000000 4.048004 4.048004\n4.048004 0.000000 4.048004\n4.048004 4.048004 0.000000\nCa Ac Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ac\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
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"chemical_system": "Ac-Ca-Tl",
"density": 8.459469929657585,
"density_atomic": 0.030151380177626915,
"volume": 132.66391045568457,
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"formula_full": "Ca1 Ac1 Tl2",
"formula_reduced": "CaAcTl2",
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"updated_at": "2021-11-28T01:36:56.762000Z",
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{
"id": "mp-864962",
"created_at": "2022-09-04T14:41:54.783693Z",
"structure_string": "Ca1 Ac1 Zn2\n1.0\n0.000000 3.821087 3.821087\n3.821087 0.000000 3.821087\n3.821087 3.821087 0.000000\nCa Ac Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n",
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"density": 5.921447690239541,
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"formula_full": "Ca1 Ac1 Zn2",
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"updated_at": "2021-11-28T01:35:31.884000Z",
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{
"id": "mp-867890",
"created_at": "2022-09-04T14:40:22.630567Z",
"structure_string": "Ac2 Cd6\n1.0\n3.599921 -6.235246 0.000000\n3.599921 6.235246 0.000000\n0.000000 0.000000 5.116090\nAc Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.150109 0.300217 0.250000 Cd\n0.699783 0.849891 0.250000 Cd\n0.150109 0.849891 0.250000 Cd\n0.849891 0.699783 0.750000 Cd\n0.300217 0.150109 0.750000 Cd\n0.849891 0.150109 0.750000 Cd\n",
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"updated_at": "2021-11-28T01:34:52.790000Z",
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{
"id": "mp-1183100",
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"structure_string": "Ac6 Cd2\n1.0\n3.863506 -6.691789 0.000000\n3.863506 6.691789 0.000000\n0.000000 0.000000 6.019332\nAc Cd\n6 2\ndirect\n0.173860 0.347720 0.250000 Ac\n0.652280 0.826140 0.250000 Ac\n0.173860 0.826140 0.250000 Ac\n0.826140 0.652280 0.750000 Ac\n0.347720 0.173860 0.750000 Ac\n0.826140 0.173860 0.750000 Ac\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n",
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]
}