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{
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"results": [
{
"id": "mp-1217296",
"created_at": "2022-09-04T14:40:05.562028Z",
"structure_string": "Th2 Si3 Rh1\n1.0\n-2.036200 2.122451 7.139967\n2.036200 -2.122451 7.139967\n2.036200 2.122451 -7.139967\nTh Si Rh\n2 3 1\ndirect\n0.752398 0.252398 0.500000 Th\n0.999611 0.999611 0.000000 Th\n0.583908 0.583908 0.000000 Si\n0.331176 0.831176 0.500000 Si\n0.417727 0.417727 0.000000 Si\n0.165180 0.665180 0.500000 Rh\n",
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"elements": [
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],
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"density": 8.761422217533852,
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"volume": 123.42817331128813,
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"formula_full": "Th2 Si3 Rh1",
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{
"id": "mp-1094550",
"created_at": "2022-09-04T14:39:48.086455Z",
"structure_string": "Mg3 Sb3\n1.0\n1.769945 -8.267342 0.000000\n1.769945 8.267342 0.000000\n0.000000 0.000000 5.287291\nMg Sb\n3 3\ndirect\n0.338400 0.661600 0.000000 Mg\n0.102058 0.897942 0.500000 Mg\n0.777475 0.222525 0.500000 Mg\n0.981698 0.018302 0.000000 Sb\n0.691951 0.308049 0.000000 Sb\n0.441752 0.558248 0.500000 Sb\n",
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],
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"volume": 154.73511574212333,
"volume_molar": 15.53061079189931,
"formula_full": "Mg3 Sb3",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy": -18.25691715,
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"updated_at": "2021-11-28T01:34:43.834000Z",
"spacegroup": 38
},
{
"id": "mp-1071623",
"created_at": "2022-09-04T14:39:48.073135Z",
"structure_string": "Cu2 Sn2 Au2\n1.0\n-2.090198 2.090198 6.488307\n2.090198 -2.090198 6.488307\n2.090198 2.090198 -6.488307\nCu Sn Au\n2 2 2\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.655982 0.655982 0.000000 Sn\n0.344018 0.344018 0.000000 Sn\n0.870759 0.870759 0.000000 Au\n0.129241 0.129241 0.000000 Au\n",
"nsites": 6,
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"elements": [
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"Sn",
"Au"
],
"chemical_system": "Au-Cu-Sn",
"density": 11.107262387705365,
"density_atomic": 0.05291575690485683,
"volume": 113.38777617389226,
"volume_molar": 11.380619143042559,
"formula_full": "Cu2 Sn2 Au2",
"formula_reduced": "CuSnAu",
"formula_anonymous": "ABC",
"energy": -23.34700516,
"energy_per_atom": -3.8911675266666665,
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"decomposes_to": null,
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"energy_uncorrected": -23.34700516,
"band_gap": 0.0,
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"total_magnetization": 5.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.162000Z",
"spacegroup": 139
},
{
"id": "mp-1215282",
"created_at": "2022-09-04T14:40:07.583580Z",
"structure_string": "Zr2 Cr2 Cu2\n1.0\n-2.372256 2.565768 3.692387\n2.372256 -2.565768 3.692387\n2.372256 2.565768 -3.692387\nZr Cr Cu\n2 2 2\ndirect\n0.132864 0.882864 0.250000 Zr\n0.867136 0.117136 0.750000 Zr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 6,
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"elements": [
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"Cu"
],
"chemical_system": "Cr-Cu-Zr",
"density": 7.638573936265229,
"density_atomic": 0.06674290533954061,
"volume": 89.89719535696344,
"volume_molar": 9.022892739480872,
"formula_full": "Zr2 Cr2 Cu2",
"formula_reduced": "ZrCrCu",
"formula_anonymous": "ABC",
"energy": -44.2852031,
"energy_per_atom": -7.380867183333333,
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"energy_uncorrected": -44.2852031,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:47.271000Z",
"spacegroup": 74
},
{
"id": "mp-2740",
"created_at": "2022-09-04T14:39:48.124177Z",
"structure_string": "Er1 Co5\n1.0\n4.894322 0.000000 0.000000\n-2.447161 4.238607 0.000000\n0.000000 0.000000 3.949349\nEr Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 6,
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"elements": [
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"Co"
],
"chemical_system": "Co-Er",
"density": 9.362230695362024,
"density_atomic": 0.07323354329721628,
"volume": 81.92966951836767,
"volume_molar": 8.223200037664858,
"formula_full": "Er1 Co5",
"formula_reduced": "ErCo5",
"formula_anonymous": "AB5",
"energy": -40.85407148,
"energy_per_atom": -6.809011913333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -40.85407148,
"band_gap": 0.0,
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"total_magnetization": 7.2274907,
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"updated_at": "2021-11-28T01:34:40.478000Z",
"spacegroup": 191
},
{
"id": "mp-1186819",
"created_at": "2022-09-04T14:39:48.209360Z",
"structure_string": "Rb4 Mg2\n1.0\n2.226736 9.713351 0.000000\n-2.226736 9.713351 0.000000\n0.000000 2.322908 8.675127\nRb Mg\n4 2\ndirect\n0.880628 0.880628 0.561835 Rb\n0.119372 0.119372 0.438165 Rb\n0.842923 0.842923 0.092759 Rb\n0.157077 0.157077 0.907241 Rb\n0.497669 0.497669 0.824409 Mg\n0.502331 0.502331 0.175591 Mg\n",
"nsites": 6,
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"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.7278481670040944,
"density_atomic": 0.015988495544270773,
"volume": 375.269829696391,
"volume_molar": 37.66546229021491,
"formula_full": "Rb4 Mg2",
"formula_reduced": "Rb2Mg",
"formula_anonymous": "AB2",
"energy": -5.81184339,
"energy_per_atom": -0.968640565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"band_gap": 0.0,
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"total_magnetization": 0.3689947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.801000Z",
"spacegroup": 12
},
{
"id": "mp-1185877",
"created_at": "2022-09-04T14:39:48.028062Z",
"structure_string": "Mg2 Hg4\n1.0\n1.644471 6.689089 0.000000\n-1.644471 6.689089 0.000000\n0.000000 2.531245 6.375566\nMg Hg\n2 4\ndirect\n0.139081 0.139081 0.465357 Mg\n0.860919 0.860919 0.534643 Mg\n0.197550 0.197550 0.844764 Hg\n0.802450 0.802450 0.155236 Hg\n0.527933 0.527933 0.210128 Hg\n0.472067 0.472067 0.789872 Hg\n",
"nsites": 6,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.074451538370871,
"density_atomic": 0.042776900665006355,
"volume": 140.26261619529393,
"volume_molar": 14.07802030156526,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.05347473,
"energy_per_atom": -0.8422457883333333,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:43.518000Z",
"spacegroup": 12
},
{
"id": "mp-1217696",
"created_at": "2022-09-04T14:39:48.010882Z",
"structure_string": "Tb2 Al1 Fe3\n1.0\n4.503352 -2.615720 0.000000\n4.503352 2.615720 0.000000\n2.984042 0.000000 4.268216\nTb Al Fe\n2 1 3\ndirect\n0.622727 0.622727 0.622727 Tb\n0.377273 0.377273 0.377273 Tb\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n",
"nsites": 6,
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"elements": [
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"Al",
"Fe"
],
"chemical_system": "Al-Fe-Tb",
"density": 8.461101743642743,
"density_atomic": 0.05966885686337083,
"volume": 100.5549681258138,
"volume_molar": 10.092602869516067,
"formula_full": "Tb2 Al1 Fe3",
"formula_reduced": "Tb2AlFe3",
"formula_anonymous": "AB2C3",
"energy": -39.37654276,
"energy_per_atom": -6.562757126666667,
"energy_above_hull": null,
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"energy_uncorrected": -39.37654276,
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"updated_at": "2021-11-28T01:34:26.641000Z",
"spacegroup": 166
},
{
"id": "mp-1185954",
"created_at": "2022-09-04T14:39:47.823121Z",
"structure_string": "Mg2 Sb4\n1.0\n1.610959 6.292108 0.000000\n-1.610959 6.292108 0.000000\n0.000000 1.549253 8.083019\nMg Sb\n2 4\ndirect\n0.632227 0.632227 0.006889 Mg\n0.367773 0.367773 0.993111 Mg\n0.238407 0.238407 0.710492 Sb\n0.001302 0.001302 0.709238 Sb\n0.998698 0.998698 0.290762 Sb\n0.761593 0.761593 0.289508 Sb\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.428076447623547,
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"volume": 163.86426381553738,
"volume_molar": 16.446894370515682,
"formula_full": "Mg2 Sb4",
"formula_reduced": "MgSb2",
"formula_anonymous": "AB2",
"energy": -20.56173379,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:25.698000Z",
"spacegroup": 12
},
{
"id": "mp-1206316",
"created_at": "2022-09-04T14:40:06.028045Z",
"structure_string": "Nd2 Sb3 Au1\n1.0\n9.810151 0.000000 0.000000\n0.000000 9.810151 0.000000\n0.000000 0.000000 41.152353\nNd Sb Au\n2 3 1\ndirect\n0.500000 0.500000 0.242928 Nd\n0.500000 0.500000 0.757072 Nd\n0.500000 0.500000 0.690963 Sb\n0.500000 0.500000 0.309037 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
"nsites": 6,
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"volume": 3960.463878265659,
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"formula_full": "Nd2 Sb3 Au1",
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"updated_at": "2021-11-28T01:34:47.382000Z",
"spacegroup": 123
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{
"id": "mp-1215264",
"created_at": "2022-09-04T14:39:46.969551Z",
"structure_string": "Zr1 Sc1 V1 Ni3\n1.0\n4.188091 -2.540014 0.000000\n4.188091 2.540014 0.000000\n2.647611 0.000000 4.120914\nZr Sc V Ni\n1 1 1 3\ndirect\n0.994388 0.994388 0.994388 Zr\n0.253578 0.253578 0.253578 Sc\n0.626110 0.626110 0.626110 V\n0.624859 0.126207 0.624859 Ni\n0.624859 0.624859 0.126207 Ni\n0.126207 0.624859 0.624859 Ni\n",
"nsites": 6,
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"elements": [
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"V",
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],
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"volume": 87.67499844804331,
"volume_molar": 8.799853029781639,
"formula_full": "Zr1 Sc1 V1 Ni3",
"formula_reduced": "ZrScVNi3",
"formula_anonymous": "ABCD3",
"energy": -43.32104143,
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"updated_at": "2021-11-28T01:34:33.181000Z",
"spacegroup": 160
},
{
"id": "mp-12041",
"created_at": "2022-09-04T14:39:47.036423Z",
"structure_string": "Dy2 Sb2 Pd2\n1.0\n2.302081 -3.987322 0.000000\n2.302081 3.987322 0.000000\n0.000000 0.000000 7.427888\nDy Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.495759 Dy\n0.000000 0.000000 0.995759 Dy\n0.333333 0.666667 0.722659 Sb\n0.666667 0.333333 0.222659 Sb\n0.666667 0.333333 0.830603 Pd\n0.333333 0.666667 0.330603 Pd\n",
"nsites": 6,
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"elements": [
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"Sb",
"Pd"
],
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"density": 9.514873537111033,
"density_atomic": 0.04400013395148204,
"volume": 136.36322122600956,
"volume_molar": 13.686641878500822,
"formula_full": "Dy2 Sb2 Pd2",
"formula_reduced": "DySbPd",
"formula_anonymous": "ABC",
"energy": -34.29132985,
"energy_per_atom": -5.715221641666666,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:23.425000Z",
"spacegroup": 186
}
]
}