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"results": [
{
"id": "mp-1097314",
"created_at": "2022-09-04T14:45:53.636626Z",
"structure_string": "Mn1 Ga1 Fe2\n1.0\n5.780791 9.916800 0.000000\n-5.780791 9.916800 0.000000\n0.000000 4.613663 8.681599\nMn Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.000184 0.000184 0.255734 Fe\n0.999816 0.999816 0.744266 Fe\n",
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{
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"spacegroup": 71
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{
"id": "mp-1097050",
"created_at": "2022-09-04T14:41:26.260746Z",
"structure_string": "Y1 Mg1 Cu2\n1.0\n-5.482431 5.702288 8.090345\n5.482431 -5.702288 8.090345\n5.482431 5.702288 -8.090345\nY Mg Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.251518 0.251518 Cu\n0.000000 0.748482 0.748482 Cu\n",
"nsites": 4,
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"elements": [
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"density": 0.394419758990937,
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"volume": 1011.6944223615549,
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"formula_full": "Y1 Mg1 Cu2",
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"updated_at": "2021-11-28T01:35:12.625000Z",
"spacegroup": 71
},
{
"id": "mp-1077305",
"created_at": "2022-09-04T14:42:29.172705Z",
"structure_string": "Tl2 Cl4\n1.0\n5.179284 16.892919 0.000000\n-5.179284 16.892919 0.000000\n0.000000 2.314405 13.235718\nTl Cl\n2 4\ndirect\n0.032923 0.032923 0.708384 Tl\n0.967077 0.967077 0.291616 Tl\n0.102114 0.102114 0.600275 Cl\n0.897886 0.897886 0.399725 Cl\n0.531818 0.531818 0.709293 Cl\n0.468182 0.468182 0.290707 Cl\n",
"nsites": 6,
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"elements": [
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"density": 0.3947448730169604,
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"volume": 2316.0713084034237,
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"formula_full": "Tl2 Cl4",
"formula_reduced": "TlCl2",
"formula_anonymous": "AB2",
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"spacegroup": 12
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{
"id": "mp-1212847",
"created_at": "2022-09-04T14:47:00.001792Z",
"structure_string": "Fe8 H12 F8\n1.0\n17.167813 0.000000 0.000000\n0.000000 17.167813 0.000000\n0.000000 0.000000 8.715588\nFe H F\n8 12 8\ndirect\n0.249873 0.249945 0.636748 Fe\n0.750127 0.750055 0.636748 Fe\n0.749945 0.250127 0.636748 Fe\n0.250127 0.250055 0.363252 Fe\n0.250055 0.749873 0.636748 Fe\n0.749873 0.749945 0.363252 Fe\n0.750055 0.249873 0.363252 Fe\n0.249945 0.750127 0.363252 Fe\n0.147584 0.025520 0.360726 H\n0.852416 0.974480 0.360726 H\n0.525520 0.352416 0.360726 H\n0.352416 0.474480 0.639274 H\n0.474480 0.647584 0.360726 H\n0.647584 0.525520 0.639274 H\n0.974480 0.147584 0.639274 H\n0.025520 0.852416 0.639274 H\n0.750000 0.250000 0.000000 H\n0.250000 0.750000 0.000000 H\n0.750000 0.750000 0.000000 H\n0.250000 0.250000 0.000000 H\n0.250032 0.249953 0.130915 F\n0.749968 0.750047 0.130915 F\n0.749953 0.249968 0.130915 F\n0.249968 0.250047 0.869085 F\n0.250047 0.750032 0.130915 F\n0.750032 0.749953 0.869085 F\n0.750047 0.250032 0.869085 F\n0.249953 0.749968 0.869085 F\n",
"nsites": 28,
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"elements": [
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"H",
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],
"chemical_system": "F-Fe-H",
"density": 0.3948677880210702,
"density_atomic": 0.010900122804500178,
"volume": 2568.7783983901577,
"volume_molar": 55.248375344117456,
"formula_full": "Fe8 H12 F8",
"formula_reduced": "Fe2H3F2",
"formula_anonymous": "A2B2C3",
"energy": -114.1974902,
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"updated_at": "2021-11-28T01:37:45.334000Z",
"spacegroup": 85
},
{
"id": "mp-1096555",
"created_at": "2022-09-04T14:45:19.633861Z",
"structure_string": "Ba2 Cd1 Ga1\n1.0\n-6.975542 6.977127 9.839568\n6.975542 -6.977127 9.839568\n6.975542 6.977127 -9.839568\nBa Cd Ga\n2 1 1\ndirect\n0.000000 0.229714 0.229714 Ba\n0.000000 0.770286 0.770286 Ba\n0.000000 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": "Ba-Cd-Ga",
"density": 0.395979930266193,
"density_atomic": 0.0020881869742831087,
"volume": 1915.5372815086312,
"volume_molar": 288.39087850681807,
"formula_full": "Ba2 Cd1 Ga1",
"formula_reduced": "Ba2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.34755636,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:04.578000Z",
"spacegroup": 71
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{
"id": "mp-1096573",
"created_at": "2022-09-04T14:41:57.846751Z",
"structure_string": "Sc2 Zn1 Co1\n1.0\n-4.970080 5.627248 8.030064\n4.970080 -5.627248 8.030064\n4.970080 5.627248 -8.030064\nSc Zn Co\n2 1 1\ndirect\n0.000000 0.206643 0.206643 Sc\n0.000000 0.793357 0.793357 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
"chemical_system": "Co-Sc-Zn",
"density": 0.39604053807680883,
"density_atomic": 0.004452680755153333,
"volume": 898.3352321790821,
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"formula_full": "Sc2 Zn1 Co1",
"formula_reduced": "Sc2ZnCo",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "mp-1096138",
"created_at": "2022-09-04T14:40:36.035438Z",
"structure_string": "La1 Y1 Al2\n1.0\n-5.863037 5.973706 8.431442\n5.863037 -5.973706 8.431442\n5.863037 5.973706 -8.431442\nLa Y Al\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.250346 0.250346 Al\n0.000000 0.749654 0.749654 Al\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.39611592173529653,
"density_atomic": 0.0033863486001509085,
"volume": 1181.2132985427859,
"volume_molar": 177.83581878521397,
"formula_full": "La1 Y1 Al2",
"formula_reduced": "LaYAl2",
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"energy": -9.66716319,
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{
"id": "mp-1093820",
"created_at": "2022-09-04T14:40:04.937805Z",
"structure_string": "Ca2 Cu1 Rh1\n1.0\n-5.249002 5.900333 8.326909\n5.249002 -5.900333 8.326909\n5.249002 5.900333 -8.326909\nCa Cu Rh\n2 1 1\ndirect\n0.000000 0.275153 0.275153 Ca\n0.000000 0.724847 0.724847 Ca\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"density": 0.3969705665009988,
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"volume": 1031.5661220830818,
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"formula_full": "Ca2 Cu1 Rh1",
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"spacegroup": 71
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{
"id": "mp-1096016",
"created_at": "2022-09-04T14:47:29.225229Z",
"structure_string": "Ca2 In1 Pb1\n1.0\n-6.355400 6.882793 9.602306\n6.355400 -6.882793 9.602306\n6.355400 6.882793 -9.602306\nCa In Pb\n2 1 1\ndirect\n0.000000 0.251857 0.251857 Ca\n0.000000 0.748143 0.748143 Ca\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1680.1309456103595,
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{
"id": "mp-1097665",
"created_at": "2022-09-04T14:39:42.508857Z",
"structure_string": "Mg1 Co2 Si1\n1.0\n-4.806080 5.105246 7.239519\n4.806080 -5.105246 7.239519\n4.806080 5.105246 -7.239519\nMg Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.281860 0.281860 Co\n0.000000 0.718140 0.718140 Co\n0.000000 0.500000 0.500000 Si\n",
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"density": 0.39790227354223284,
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"volume": 710.5217436582742,
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"formula_full": "Mg1 Co2 Si1",
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"updated_at": "2021-11-28T01:34:33.705000Z",
"spacegroup": 71
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{
"id": "mp-1096397",
"created_at": "2022-09-04T14:47:57.175601Z",
"structure_string": "Mg2 Ga1 Pd1\n1.0\n-5.436170 5.525282 7.798947\n5.436170 -5.525282 7.798947\n5.436170 5.525282 -7.798947\nMg Ga Pd\n2 1 1\ndirect\n0.000000 0.272099 0.272099 Mg\n0.000000 0.727901 0.727901 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
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"density": 0.398300779660075,
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"volume": 937.0083009982111,
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"formula_full": "Mg2 Ga1 Pd1",
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"formula_anonymous": "ABC2",
"energy": -6.21738364,
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"updated_at": "2021-11-28T01:38:16.308000Z",
"spacegroup": 71
}
]
}