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{
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"results": [
{
"id": "mp-1147612",
"created_at": "2022-09-04T14:39:26.270244Z",
"structure_string": "Mg1 Cu3 N3\n1.0\n4.138287 0.000000 0.000000\n0.000000 4.138287 0.000000\n0.000000 0.000000 4.138287\nMg Cu N\n1 3 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n",
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"elements": [
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{
"id": "mp-1183290",
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"nsites": 5,
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"elements": [
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"updated_at": "2021-11-28T01:36:34.987000Z",
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},
{
"id": "mp-22313",
"created_at": "2022-09-04T14:39:24.341305Z",
"structure_string": "Na2 Pt1 O2\n1.0\n-1.590271 2.319172 4.803506\n1.590271 -2.319172 4.803506\n1.590271 2.319172 -4.803506\nNa Pt O\n2 1 2\ndirect\n0.677483 0.677483 0.000000 Na\n0.322517 0.322517 0.000000 Na\n0.000000 0.000000 0.000000 Pt\n0.861369 0.361369 0.500000 O\n0.138631 0.638631 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "Na-O-Pt",
"density": 6.3986517723240794,
"density_atomic": 0.07055821367326434,
"volume": 70.86347201409637,
"volume_molar": 8.534996064224181,
"formula_full": "Na2 Pt1 O2",
"formula_reduced": "Na2PtO2",
"formula_anonymous": "AB2C2",
"energy": -25.467408889999994,
"energy_per_atom": -5.093481777999999,
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"energy_uncorrected": -24.09340889,
"band_gap": 1.4632999999999998,
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"total_magnetization": 4.51e-05,
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"updated_at": "2021-11-28T01:34:42.214000Z",
"spacegroup": 71
},
{
"id": "mp-631506",
"created_at": "2022-09-04T14:48:03.407685Z",
"structure_string": "Sr1 Zr1 Co1\n1.0\n0.000000 3.284413 3.284413\n3.284413 0.000000 3.284413\n3.284413 3.284413 0.000000\nSr Zr Co\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Co\n",
"nsites": 3,
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"elements": [
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"Zr",
"Co"
],
"chemical_system": "Co-Sr-Zr",
"density": 5.5720629471476295,
"density_atomic": 0.04233679441323162,
"volume": 70.86034834660045,
"volume_molar": 14.224366401528705,
"formula_full": "Sr1 Zr1 Co1",
"formula_reduced": "SrZrCo",
"formula_anonymous": "ABC",
"energy": -14.121803659999998,
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"energy_uncorrected": -14.121803659999998,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.896000Z",
"spacegroup": 216
},
{
"id": "mp-1008903",
"created_at": "2022-09-04T14:42:47.026681Z",
"structure_string": "Mg1 Ag1 Sb1\n1.0\n0.000000 3.284398 3.284398\n3.284398 0.000000 3.284398\n3.284398 3.284398 0.000000\nMg Ag Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ag-Mg-Sb",
"density": 5.950743766822866,
"density_atomic": 0.04233737447826926,
"volume": 70.8593774878465,
"volume_molar": 14.224171513259561,
"formula_full": "Mg1 Ag1 Sb1",
"formula_reduced": "MgAgSb",
"formula_anonymous": "ABC",
"energy": -9.43792771,
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"energy_uncorrected": -9.24592771,
"band_gap": 0.0,
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"total_magnetization": 0.0016574,
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"updated_at": "2021-11-28T01:35:50.402000Z",
"spacegroup": 216
},
{
"id": "mp-1219773",
"created_at": "2022-09-04T14:39:18.369763Z",
"structure_string": "Pu3 Al1\n1.0\n-1.883943 -1.883943 0.000000\n0.000000 1.883943 -1.883943\n5.398361 -7.282305 -7.282305\nPu Al\n3 1\ndirect\n0.511520 0.255760 0.232720 Pu\n0.000000 0.500000 0.500000 Pu\n0.488480 0.744240 0.767280 Pu\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
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"elements": [
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"Al"
],
"chemical_system": "Al-Pu",
"density": 17.787692632387767,
"density_atomic": 0.056454595226367976,
"volume": 70.8533996915762,
"volume_molar": 10.667228656680312,
"formula_full": "Pu3 Al1",
"formula_reduced": "Pu3Al",
"formula_anonymous": "AB3",
"energy": -45.34407243,
"energy_per_atom": -11.3360181075,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -45.34407243,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.4175508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.776000Z",
"spacegroup": 166
},
{
"id": "mp-1186679",
"created_at": "2022-09-04T14:42:25.106928Z",
"structure_string": "Pm1 Zn1 Rh2\n1.0\n0.000000 3.284227 3.284227\n3.284227 0.000000 3.284227\n3.284227 3.284227 0.000000\nPm Zn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Zn",
"Rh"
],
"chemical_system": "Pm-Rh-Zn",
"density": 9.75534302979837,
"density_atomic": 0.0564586506249894,
"volume": 70.8483103248228,
"volume_molar": 10.666462434606107,
"formula_full": "Pm1 Zn1 Rh2",
"formula_reduced": "PmZnRh2",
"formula_anonymous": "ABC2",
"energy": -22.82742427,
"energy_per_atom": -5.7068560675,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0002862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.092000Z",
"spacegroup": 225
},
{
"id": "mp-1246050",
"created_at": "2022-09-04T14:45:12.458221Z",
"structure_string": "Ti2 Co2 N4\n1.0\n2.946880 0.000000 0.000000\n-1.473440 2.552048 0.000000\n0.000000 0.000000 9.420236\nTi Co N\n2 2 4\ndirect\n0.666786 0.333572 0.250000 Ti\n0.333214 0.666428 0.750000 Ti\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.666579 0.333158 0.883275 N\n0.333421 0.666842 0.116725 N\n0.333421 0.666842 0.383275 N\n0.666579 0.333158 0.616725 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Co",
"N"
],
"chemical_system": "Co-N-Ti",
"density": 6.319747258714786,
"density_atomic": 0.11292157166421309,
"volume": 70.84563101715442,
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"formula_full": "Ti2 Co2 N4",
"formula_reduced": "TiCoN2",
"formula_anonymous": "ABC2",
"energy": -68.98075836,
"energy_per_atom": -8.622594795,
"energy_above_hull": null,
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"energy_uncorrected": -67.53675836,
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"updated_at": "2021-11-28T01:36:51.970000Z",
"spacegroup": 194
},
{
"id": "mp-1187596",
"created_at": "2022-09-04T14:42:15.637578Z",
"structure_string": "Tm1 Ga1 Pd2\n1.0\n0.000000 3.284071 3.284071\n3.284071 0.000000 3.284071\n3.284071 3.284071 0.000000\nTm Ga Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Tm",
"density": 10.58367656462138,
"density_atomic": 0.056466696706709764,
"volume": 70.83821497078458,
"volume_molar": 10.664942543530099,
"formula_full": "Tm1 Ga1 Pd2",
"formula_reduced": "TmGaPd2",
"formula_anonymous": "ABC2",
"energy": -21.26632292,
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"updated_at": "2021-11-28T01:35:39.006000Z",
"spacegroup": 225
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{
"id": "mp-1073739",
"created_at": "2022-09-04T14:45:17.749233Z",
"structure_string": "Mg2 Si2\n1.0\n1.482810 5.330401 0.000000\n-1.482810 5.330401 0.000000\n0.000000 1.652705 4.480628\nMg Si\n2 2\ndirect\n0.105793 0.105793 0.685952 Mg\n0.894207 0.894207 0.314048 Mg\n0.347517 0.347517 0.841631 Si\n0.652483 0.652483 0.158369 Si\n",
"nsites": 4,
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"density": 2.4565033698506658,
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"formula_full": "Mg2 Si2",
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"updated_at": "2021-11-28T01:37:04.030000Z",
"spacegroup": 12
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{
"id": "mp-2509",
"created_at": "2022-09-04T14:48:18.822509Z",
"structure_string": "Th1 Rh3\n1.0\n4.137493 0.000000 0.000000\n0.000000 4.137493 0.000000\n0.000000 0.000000 4.137493\nTh Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 4,
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"density": 12.677612460499219,
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"volume": 70.82911511295197,
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"formula_full": "Th1 Rh3",
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"updated_at": "2021-11-28T01:38:56.816000Z",
"spacegroup": 221
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{
"id": "mp-1018055",
"created_at": "2022-09-04T14:40:21.932744Z",
"structure_string": "Hf2 Ir2\n1.0\n3.066005 0.000000 0.000000\n0.000000 4.664248 0.000000\n0.000000 0.000000 4.951987\nHf Ir\n2 2\ndirect\n0.500000 0.250000 0.268654 Hf\n0.500000 0.750000 0.731346 Hf\n0.000000 0.750000 0.206072 Ir\n0.000000 0.250000 0.793928 Ir\n",
"nsites": 4,
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"elements": [
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"density": 17.385047887907657,
"density_atomic": 0.056484072616109784,
"volume": 70.81642336921652,
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"formula_full": "Hf2 Ir2",
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"energy": -41.3068139,
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"updated_at": "2021-11-28T01:34:47.842000Z",
"spacegroup": 51
}
]
}