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{
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"results": [
{
"id": "mp-865979",
"created_at": "2022-09-04T14:44:10.569623Z",
"structure_string": "Ac1 Mg1 Cd2\n1.0\n0.000000 3.836137 3.836137\n3.836137 0.000000 3.836137\n3.836137 3.836137 0.000000\nAc Mg Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"density": 7.002604290520249,
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"volume": 112.90477818850444,
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"formula_full": "Ac1 Mg1 Cd2",
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{
"id": "mp-1183118",
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"structure_string": "Ac1 La1 Cd2\n1.0\n0.000000 4.013824 4.013824\n4.013824 0.000000 4.013824\n4.013824 4.013824 0.000000\nAc La Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ac1 La1 Cd2",
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"updated_at": "2021-11-28T01:36:51.089000Z",
"spacegroup": 225
},
{
"id": "mp-1183086",
"created_at": "2022-09-04T14:43:12.485195Z",
"structure_string": "Ac2 Cd1 Hg1\n1.0\n0.000000 4.065664 4.065664\n4.065664 0.000000 4.065664\n4.065664 4.065664 0.000000\nAc Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Cd-Hg",
"density": 9.475902406964186,
"density_atomic": 0.02976017926572802,
"volume": 134.40779251643895,
"volume_molar": 20.23556614437175,
"formula_full": "Ac2 Cd1 Hg1",
"formula_reduced": "Ac2CdHg",
"formula_anonymous": "ABC2",
"energy": -10.92467553,
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"energy_uncorrected": -10.92467553,
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"total_magnetization": 0.044984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.473000Z",
"spacegroup": 225
},
{
"id": "mp-864644",
"created_at": "2022-09-04T14:43:17.371824Z",
"structure_string": "Ac1 Cd1 Hg2\n1.0\n0.000000 3.822967 3.822967\n3.822967 0.000000 3.822967\n3.822967 3.822967 0.000000\nAc Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Ac-Cd-Hg",
"density": 11.005147919071714,
"density_atomic": 0.03579549299204231,
"volume": 111.7459117238374,
"volume_molar": 16.823740243887077,
"formula_full": "Ac1 Cd1 Hg2",
"formula_reduced": "AcCdHg2",
"formula_anonymous": "ABC2",
"energy": -7.30378464,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.415000Z",
"spacegroup": 225
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{
"id": "mp-1183063",
"created_at": "2022-09-04T14:39:29.010994Z",
"structure_string": "Ac2 Cd1 Ge1\n1.0\n0.000000 3.980658 3.980658\n3.980658 0.000000 3.980658\n3.980658 3.980658 0.000000\nAc Cd Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"Ge"
],
"chemical_system": "Ac-Cd-Ge",
"density": 8.41182096739983,
"density_atomic": 0.03170774785180349,
"volume": 126.1521322389501,
"volume_molar": 18.992647437927285,
"formula_full": "Ac2 Cd1 Ge1",
"formula_reduced": "Ac2CdGe",
"formula_anonymous": "ABC2",
"energy": -15.37135124,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:30.712000Z",
"spacegroup": 225
},
{
"id": "mp-1183068",
"created_at": "2022-09-04T14:47:57.594213Z",
"structure_string": "Ac2 Cd1 Ga1\n1.0\n0.000000 4.010801 4.010801\n4.010801 0.000000 4.010801\n4.010801 4.010801 0.000000\nAc Cd Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Ac-Cd-Ga",
"density": 8.186049500286272,
"density_atomic": 0.030998212562817123,
"volume": 129.0396983985479,
"volume_molar": 19.427380684600053,
"formula_full": "Ac2 Cd1 Ga1",
"formula_reduced": "Ac2CdGa",
"formula_anonymous": "ABC2",
"energy": -13.6000608,
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"energy_uncorrected": -13.6000608,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.447000Z",
"spacegroup": 225
},
{
"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",
"nsites": 8,
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"elements": [
"Ac",
"Cd"
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"chemical_system": "Ac-Cd",
"density": 8.15873527430903,
"density_atomic": 0.0348317466454075,
"volume": 229.67553368601412,
"volume_molar": 17.289229912316234,
"formula_full": "Ac2 Cd6",
"formula_reduced": "AcCd3",
"formula_anonymous": "AB3",
"energy": -15.94540852,
"energy_per_atom": -1.993176065,
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"updated_at": "2021-11-28T01:34:52.790000Z",
"spacegroup": 194
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{
"id": "mp-1183100",
"created_at": "2022-09-04T14:39:34.401404Z",
"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",
"nsites": 8,
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"elements": [
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"density": 8.465940021118719,
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"volume": 311.2448134722492,
"volume_molar": 23.429500969372864,
"formula_full": "Ac6 Cd2",
"formula_reduced": "Ac3Cd",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:43.433000Z",
"spacegroup": 194
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{
"id": "mp-1183090",
"created_at": "2022-09-04T14:47:43.942832Z",
"structure_string": "Ac3 Cd1\n1.0\n-2.622908 2.622908 5.623313\n2.622908 -2.622908 5.623313\n2.622908 2.622908 -5.623313\nAc Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 8.513907951860771,
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"volume": 154.74561961669158,
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"formula_full": "Ac3 Cd1",
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"updated_at": "2021-11-28T01:38:21.879000Z",
"spacegroup": 139
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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",
"nsites": 4,
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"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",
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"updated_at": "2021-11-28T01:36:56.762000Z",
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{
"id": "mp-1183483",
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"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",
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"formula_full": "Ca1 Ac1 Rh2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:57.449000Z",
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}
]
}