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{
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"results": [
{
"id": "mp-1183089",
"created_at": "2022-09-04T14:44:19.313932Z",
"structure_string": "Ac4 Mg2\n1.0\n2.036575 7.280329 0.000000\n-2.036575 7.280329 0.000000\n0.000000 2.276016 7.840958\nAc Mg\n4 2\ndirect\n0.851343 0.851343 0.570096 Ac\n0.148657 0.148657 0.429904 Ac\n0.843076 0.843076 0.082161 Ac\n0.156924 0.156924 0.917839 Ac\n0.496994 0.496994 0.762259 Mg\n0.503006 0.503006 0.237741 Mg\n",
"nsites": 6,
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"density": 6.831773774460174,
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{
"id": "mp-1183085",
"created_at": "2022-09-04T14:45:09.345853Z",
"structure_string": "Ac4 Mg2\n1.0\n2.045923 -9.364848 0.000000\n2.045923 9.364848 0.000000\n0.000000 0.000000 6.074561\nAc Mg\n4 2\ndirect\n0.227908 0.772092 0.250000 Ac\n0.916686 0.083314 0.250000 Ac\n0.772092 0.227908 0.750000 Ac\n0.083314 0.916686 0.750000 Ac\n0.570510 0.429490 0.250000 Mg\n0.429490 0.570510 0.750000 Mg\n",
"nsites": 6,
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"updated_at": "2021-11-28T01:36:54.342000Z",
"spacegroup": 63
},
{
"id": "mp-1183179",
"created_at": "2022-09-04T14:40:09.582790Z",
"structure_string": "Ac1 Nd1 Mg2\n1.0\n0.000000 4.002017 4.002017\n4.002017 0.000000 4.002017\n4.002017 4.002017 0.000000\nAc Nd Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Nd",
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"chemical_system": "Ac-Mg-Nd",
"density": 5.43849258512513,
"density_atomic": 0.031202774197724905,
"volume": 128.19372965534754,
"volume_molar": 19.30001711334723,
"formula_full": "Ac1 Nd1 Mg2",
"formula_reduced": "AcNdMg2",
"formula_anonymous": "ABC2",
"energy": -12.37259721,
"energy_per_atom": -3.0931493025,
"energy_above_hull": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -12.37259721,
"band_gap": 0.0,
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"total_magnetization": 0.17784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.875000Z",
"spacegroup": 225
},
{
"id": "mp-1183142",
"created_at": "2022-09-04T14:47:18.815134Z",
"structure_string": "Ac1 Mg1 O3\n1.0\n4.016262 0.000000 0.000000\n0.000000 4.016262 0.000000\n0.000000 0.000000 4.016262\nAc Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Mg\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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"Mg",
"O"
],
"chemical_system": "Ac-Mg-O",
"density": 7.671748358584634,
"density_atomic": 0.07717984389518967,
"volume": 64.78375373225691,
"volume_molar": 7.80273767873653,
"formula_full": "Ac1 Mg1 O3",
"formula_reduced": "AcMgO3",
"formula_anonymous": "ABC3",
"energy": -35.60475467,
"energy_per_atom": -7.120950934,
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"energy_uncorrected": -33.54375467,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.381000Z",
"spacegroup": 221
},
{
"id": "mp-1183078",
"created_at": "2022-09-04T14:45:26.256160Z",
"structure_string": "Ac2 Mg1 Pb1\n1.0\n0.000000 4.150328 4.150328\n4.150328 0.000000 4.150328\n4.150328 4.150328 0.000000\nAc Mg Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Mg-Pb",
"density": 7.961272103918043,
"density_atomic": 0.0279758141837181,
"volume": 142.98064655891218,
"volume_molar": 21.52623948833947,
"formula_full": "Ac2 Mg1 Pb1",
"formula_reduced": "Ac2MgPb",
"formula_anonymous": "ABC2",
"energy": -14.65531246,
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"energy_uncorrected": -14.65531246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.195000Z",
"spacegroup": 225
},
{
"id": "mp-1183181",
"created_at": "2022-09-04T14:39:24.137456Z",
"structure_string": "Ac1 Pr1 Mg2\n1.0\n0.000000 4.009203 4.009203\n4.009203 0.000000 4.009203\n4.009203 4.009203 0.000000\nAc Pr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"elements": [
"Ac",
"Pr",
"Mg"
],
"chemical_system": "Ac-Mg-Pr",
"density": 5.366342299055812,
"density_atomic": 0.0310352934166647,
"volume": 128.88552224391606,
"volume_molar": 19.40416892197434,
"formula_full": "Ac1 Pr1 Mg2",
"formula_reduced": "AcPrMg2",
"formula_anonymous": "ABC2",
"energy": -12.40660393,
"energy_per_atom": -3.1016509825,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -12.40660393,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0007754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.609000Z",
"spacegroup": 225
},
{
"id": "mp-866103",
"created_at": "2022-09-04T14:46:37.892339Z",
"structure_string": "Ac2 Mg1 Sn1\n1.0\n0.000000 4.093281 4.093281\n4.093281 0.000000 4.093281\n4.093281 4.093281 0.000000\nAc Mg Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
"Ac",
"Mg",
"Sn"
],
"chemical_system": "Ac-Mg-Sn",
"density": 7.227526054794336,
"density_atomic": 0.029161866461365517,
"volume": 137.16543161938264,
"volume_molar": 20.65073841545193,
"formula_full": "Ac2 Mg1 Sn1",
"formula_reduced": "Ac2MgSn",
"formula_anonymous": "ABC2",
"energy": -15.26206194,
"energy_per_atom": -3.815515485,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:40.752000Z",
"spacegroup": 225
},
{
"id": "mp-1183079",
"created_at": "2022-09-04T14:41:57.407159Z",
"structure_string": "Ac2 Mg1 Tl1\n1.0\n0.000000 4.130333 4.130333\n4.130333 0.000000 4.130333\n4.130333 4.130333 0.000000\nAc Mg Tl\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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"Mg",
"Tl"
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"chemical_system": "Ac-Mg-Tl",
"density": 8.044264834978934,
"density_atomic": 0.02838407815906757,
"volume": 140.92407643410328,
"volume_molar": 21.216615618979223,
"formula_full": "Ac2 Mg1 Tl1",
"formula_reduced": "Ac2MgTl",
"formula_anonymous": "ABC2",
"energy": -13.04127332,
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"energy_uncorrected": -13.04127332,
"band_gap": 0.2200000000000006,
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"updated_at": "2021-11-28T01:35:33.678000Z",
"spacegroup": 225
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{
"id": "mp-861735",
"created_at": "2022-09-04T14:40:00.775526Z",
"structure_string": "Ac1 Mg1 Tl2\n1.0\n0.000000 3.930004 3.930004\n3.930004 0.000000 3.930004\n3.930004 3.930004 0.000000\nAc Mg Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Tl"
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"chemical_system": "Ac-Mg-Tl",
"density": 9.028823679711246,
"density_atomic": 0.03294966613635998,
"volume": 121.39728467797727,
"volume_molar": 18.27678840531426,
"formula_full": "Ac1 Mg1 Tl2",
"formula_reduced": "AcMgTl2",
"formula_anonymous": "ABC2",
"energy": -11.46481933,
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"updated_at": "2021-11-28T01:35:02.801000Z",
"spacegroup": 225
},
{
"id": "mp-1183077",
"created_at": "2022-09-04T14:41:12.548360Z",
"structure_string": "Ac2 Yb1 Mg1\n1.0\n0.000000 4.218669 4.218669\n4.218669 0.000000 4.218669\n4.218669 4.218669 0.000000\nAc Yb Mg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Mg-Yb",
"density": 7.2028410422560585,
"density_atomic": 0.026638124277217814,
"volume": 150.16072296880864,
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"formula_full": "Ac2 Yb1 Mg1",
"formula_reduced": "Ac2YbMg",
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"updated_at": "2021-11-28T01:35:09.631000Z",
"spacegroup": 225
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{
"id": "mp-979950",
"created_at": "2022-09-04T14:43:04.307643Z",
"structure_string": "Ac1 Yb1 Mg2\n1.0\n0.000000 4.047463 4.047463\n4.047463 0.000000 4.047463\n4.047463 4.047463 0.000000\nAc Yb Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"density": 5.617953133841249,
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"volume": 132.61072751610854,
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"formula_full": "Ac1 Yb1 Mg2",
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"updated_at": "2021-11-28T01:35:59.766000Z",
"spacegroup": 225
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{
"id": "mp-1183182",
"created_at": "2022-09-04T14:44:14.289653Z",
"structure_string": "Ac1 Mg1 Zn2\n1.0\n0.000000 3.662653 3.662653\n3.662653 0.000000 3.662653\n3.662653 3.662653 0.000000\nAc Mg Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"density": 6.457061961846342,
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"volume": 98.26917776160745,
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"formula_full": "Ac1 Mg1 Zn2",
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"updated_at": "2021-11-28T01:36:29.146000Z",
"spacegroup": 225
}
]
}