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{
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"results": [
{
"id": "mp-1211445",
"created_at": "2022-09-04T14:39:14.495253Z",
"structure_string": "Mg2 Mn1 Ge2\n1.0\n9.075829 0.000000 0.000000\n0.000000 9.075829 0.000000\n0.000000 0.000000 29.264244\nMg Mn Ge\n2 1 2\ndirect\n0.500000 0.500000 0.662860 Mg\n0.500000 0.500000 0.337140 Mg\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.248878 Ge\n0.500000 0.500000 0.751122 Ge\n",
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"density": 0.17141092808811237,
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"volume": 2410.5154449417983,
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"formula_full": "Mg2 Mn1 Ge2",
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{
"id": "mp-1207362",
"created_at": "2022-09-04T14:40:29.685388Z",
"structure_string": "Tb2 Cu1 Sb3\n1.0\n12.549348 -0.000000 -0.000000\n-0.000000 12.549348 0.000000\n0.000000 0.000000 46.075159\nTb Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.247328 Tb\n0.500000 0.500000 0.752672 Tb\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.695152 Sb\n0.500000 0.500000 0.304848 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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"density": 0.17087263981858097,
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"volume": 7256.1987207921675,
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"formula_full": "Tb2 Cu1 Sb3",
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"updated_at": "2021-11-28T01:35:06.525000Z",
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},
{
"id": "mp-1207230",
"created_at": "2022-09-04T14:43:04.258253Z",
"structure_string": "Mg1 Br6\n1.0\n5.533107 -8.439012 0.000000\n5.533107 8.439012 0.000000\n0.000000 0.000000 52.555475\nMg Br\n1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.249998 Br\n0.000000 0.000000 0.750002 Br\n0.253143 0.010350 0.000000 Br\n0.746857 0.989650 0.000000 Br\n0.010350 0.253143 0.000000 Br\n0.989650 0.746857 0.000000 Br\n",
"nsites": 7,
"nelements": 2,
"elements": [
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],
"chemical_system": "Br-Mg",
"density": 0.17042661461676434,
"density_atomic": 0.0014262294685812708,
"volume": 4908.046113339103,
"volume_molar": 422.2420650156999,
"formula_full": "Mg1 Br6",
"formula_reduced": "MgBr6",
"formula_anonymous": "AB6",
"energy": -14.15298613,
"energy_per_atom": -2.0218551614285714,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -10.94898613,
"band_gap": 0.7193000000000005,
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"updated_at": "2021-11-28T01:35:55.341000Z",
"spacegroup": 65
},
{
"id": "mp-1097635",
"created_at": "2022-09-04T14:42:55.484195Z",
"structure_string": "Na1 Sr2 Ca1\n1.0\n-7.366532 7.582652 10.417916\n7.366532 -7.582652 10.417916\n7.366532 7.582652 -10.417916\nNa Sr Ca\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.249337 0.000000 0.249337 Sr\n0.750663 0.000000 0.750663 Sr\n0.500000 0.000000 0.500000 Ca\n",
"nsites": 4,
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"elements": [
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"Sr",
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],
"chemical_system": "Ca-Na-Sr",
"density": 0.17000521804033777,
"density_atomic": 0.0017184422587990368,
"volume": 2327.689498741418,
"volume_molar": 350.44184517486656,
"formula_full": "Na1 Sr2 Ca1",
"formula_reduced": "NaSr2Ca",
"formula_anonymous": "ABC2",
"energy": -1.66057005,
"energy_per_atom": -0.4151425125,
"energy_above_hull": null,
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"energy_uncorrected": -1.66057005,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:57.094000Z",
"spacegroup": 71
},
{
"id": "mp-1212335",
"created_at": "2022-09-04T14:41:02.319947Z",
"structure_string": "K2 Li1 Te2\n1.0\n13.935392 0.000000 0.000000\n0.000000 13.935392 0.000000\n0.000000 0.000000 17.140706\nK Li Te\n2 1 2\ndirect\n0.500000 0.500000 0.669055 K\n0.500000 0.500000 0.330945 K\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.151880 Te\n0.500000 0.500000 0.848120 Te\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "K-Li-Te",
"density": 0.16978211675856136,
"density_atomic": 0.001502114086137043,
"volume": 3328.641976095438,
"volume_molar": 400.91101039382573,
"formula_full": "K2 Li1 Te2",
"formula_reduced": "K2LiTe2",
"formula_anonymous": "AB2C2",
"energy": -11.13928781,
"energy_per_atom": -2.227857562,
"energy_above_hull": null,
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"energy_uncorrected": -10.29528781,
"band_gap": 0.0001000000000002,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:02.335000Z",
"spacegroup": 123
},
{
"id": "mp-1097633",
"created_at": "2022-09-04T14:43:23.559708Z",
"structure_string": "Cs2 K1 Rb1\n1.0\n-8.415320 9.573233 11.904341\n8.415320 -9.573233 11.904341\n8.415320 9.573233 -11.904341\nCs K Rb\n2 1 1\ndirect\n0.750383 0.000000 0.750383 Cs\n0.249617 0.000000 0.249617 Cs\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Rb\n",
"nsites": 4,
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"elements": [
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"K",
"Rb"
],
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"density": 0.16898132440069383,
"density_atomic": 0.0010427144138082775,
"volume": 3836.1414659944217,
"volume_molar": 577.544597087279,
"formula_full": "Cs2 K1 Rb1",
"formula_reduced": "Cs2KRb",
"formula_anonymous": "ABC2",
"energy": -1.91478787,
"energy_per_atom": -0.4786969675,
"energy_above_hull": null,
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"energy_uncorrected": -1.91478787,
"band_gap": 0.2482000000000002,
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"updated_at": "2021-11-28T01:36:16.213000Z",
"spacegroup": 71
},
{
"id": "mp-1213171",
"created_at": "2022-09-04T14:40:20.614145Z",
"structure_string": "K3 Yb1 Se6\n1.0\n-5.595899 -9.692382 0.000000\n-6.262651 10.077331 0.000000\n0.000000 0.000000 -64.397028\nK Yb Se\n3 1 6\ndirect\n-0.000000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.000000 K\n-0.000000 -0.000000 0.000000 Yb\n-0.000000 -0.000000 0.765224 Se\n-0.000000 -0.000000 0.234776 Se\n0.770073 0.758603 0.000000 Se\n0.229927 0.241397 0.000000 Se\n0.011471 0.241397 0.000000 Se\n0.988529 0.758603 0.000000 Se\n",
"nsites": 10,
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"elements": [
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"Se"
],
"chemical_system": "K-Se-Yb",
"density": 0.16826908869023902,
"density_atomic": 0.0013261967041001477,
"volume": 7540.359562863799,
"volume_molar": 454.09106668577857,
"formula_full": "K3 Yb1 Se6",
"formula_reduced": "K3YbSe6",
"formula_anonymous": "AB3C6",
"energy": -27.39571541,
"energy_per_atom": -2.739571541,
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"updated_at": "2021-11-28T01:34:48.383000Z",
"spacegroup": 65
},
{
"id": "mp-1095721",
"created_at": "2022-09-04T14:39:25.205319Z",
"structure_string": "K2 Na1 Cd1\n1.0\n-7.086283 7.486669 10.019123\n7.086283 -7.486669 10.019123\n7.086283 7.486669 -10.019123\nK Na Cd\n2 1 1\ndirect\n0.750570 0.000000 0.750570 K\n0.249430 0.000000 0.249430 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Na",
"Cd"
],
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"density": 0.16682002131743395,
"density_atomic": 0.0018813221411730693,
"volume": 2126.1643141593295,
"volume_molar": 320.1015194689086,
"formula_full": "K2 Na1 Cd1",
"formula_reduced": "K2NaCd",
"formula_anonymous": "ABC2",
"energy": -2.36626961,
"energy_per_atom": -0.5915674025,
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"updated_at": "2021-11-28T01:34:35.647000Z",
"spacegroup": 71
},
{
"id": "mp-1097680",
"created_at": "2022-09-04T14:47:26.525725Z",
"structure_string": "Ca2 Mg1 Zn1\n1.0\n-6.569225 6.946878 9.284802\n6.569225 -6.946878 9.284802\n6.569225 6.946878 -9.284802\nCa Mg Zn\n2 1 1\ndirect\n0.260497 0.000000 0.260497 Ca\n0.739503 0.000000 0.739503 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"Mg",
"Zn"
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"density": 0.1664291278210476,
"density_atomic": 0.0023600627177223533,
"volume": 1694.8702125426207,
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"formula_full": "Ca2 Mg1 Zn1",
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"energy": -1.40248541,
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"updated_at": "2021-11-28T01:38:07.503000Z",
"spacegroup": 71
},
{
"id": "mp-1097520",
"created_at": "2022-09-04T14:47:17.645725Z",
"structure_string": "Ba1 Li2 Ca1\n1.0\n-6.840243 7.282377 9.661468\n6.840243 -7.282377 9.661468\n6.840243 7.282377 -9.661468\nBa Li Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.236024 0.000000 0.236024 Li\n0.763976 0.000000 0.763976 Li\n0.000000 0.000000 0.000000 Ca\n",
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"volume": 1925.0756446962528,
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"formula_full": "Ba1 Li2 Ca1",
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"updated_at": "2021-11-28T01:38:03.686000Z",
"spacegroup": 71
},
{
"id": "mp-1097274",
"created_at": "2022-09-04T14:44:16.471912Z",
"structure_string": "K2 Rb1 As1\n1.0\n-7.497178 7.570820 10.582790\n7.497178 -7.570820 10.582790\n7.497178 7.570820 -10.582790\nK Rb As\n2 1 1\ndirect\n0.208723 0.000000 0.208723 K\n0.791277 0.000000 0.791277 K\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"volume": 2402.707546579256,
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"formula_full": "K2 Rb1 As1",
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"updated_at": "2021-11-28T01:36:38.887000Z",
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{
"id": "mp-1206823",
"created_at": "2022-09-04T14:48:27.758918Z",
"structure_string": "Pr1 I6\n1.0\n-7.296730 -12.638308 0.000000\n-4.396447 10.963828 0.000000\n0.000000 0.000000 -67.117820\nPr I\n1 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.750009 I\n0.000000 0.000000 0.249991 I\n0.740837 0.759248 -0.000000 I\n0.259163 0.240752 0.000000 I\n0.981590 0.240752 0.000000 I\n0.018410 0.759248 -0.000000 I\n",
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"elements": [
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"density": 0.16467787298511544,
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"volume": 9098.742966580801,
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"formula_full": "Pr1 I6",
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"formula_anonymous": "AB6",
"energy": -16.85712008,
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"updated_at": "2021-11-28T01:39:24.900000Z",
"spacegroup": 65
}
]
}