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{
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"results": [
{
"id": "mp-1096613",
"created_at": "2022-09-04T14:48:09.416241Z",
"structure_string": "Sr1 La1 Mg2\n1.0\n-5.999535 7.090681 8.502101\n5.999535 -7.090681 8.502101\n5.999535 7.090681 -8.502101\nSr La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.741224 0.000000 0.741224 Mg\n0.258776 0.000000 0.258776 Mg\n",
"nsites": 4,
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"elements": [
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"density": 0.315794011479698,
"density_atomic": 0.0027648285245853665,
"volume": 1446.7443331227453,
"volume_molar": 217.81245044493755,
"formula_full": "Sr1 La1 Mg2",
"formula_reduced": "SrLaMg2",
"formula_anonymous": "ABC2",
"energy": -2.5548613,
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"updated_at": "2021-11-28T01:38:31.078000Z",
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{
"id": "mp-1096564",
"created_at": "2022-09-04T14:41:26.813087Z",
"structure_string": "Sr2 Zn1 Cd1\n1.0\n-6.718771 7.263720 9.499507\n6.718771 -7.263720 9.499507\n6.718771 7.263720 -9.499507\nSr Zn Cd\n2 1 1\ndirect\n0.752137 0.000000 0.752137 Sr\n0.247863 0.000000 0.247863 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 0.3161459496254937,
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"volume": 1854.42806889758,
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"formula_full": "Sr2 Zn1 Cd1",
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"energy": -1.29006656,
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"energy_uncorrected": -1.29006656,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.110000Z",
"spacegroup": 71
},
{
"id": "mp-1097118",
"created_at": "2022-09-04T14:41:14.554542Z",
"structure_string": "Sc2 Al1 Ga1\n1.0\n-5.451718 5.620980 7.977579\n5.451718 -5.620980 7.977579\n5.451718 5.620980 -7.977579\nSc Al Ga\n2 1 1\ndirect\n0.000000 0.252048 0.252048 Sc\n0.000000 0.747952 0.747952 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Ga-Sc",
"density": 0.3169000368065123,
"density_atomic": 0.004090566556048619,
"volume": 977.8596546938711,
"volume_molar": 147.22021210228718,
"formula_full": "Sc2 Al1 Ga1",
"formula_reduced": "Sc2AlGa",
"formula_anonymous": "ABC2",
"energy": -10.65123567,
"energy_per_atom": -2.6628089175,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.65123567,
"band_gap": 0.1660999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0479855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.066000Z",
"spacegroup": 71
},
{
"id": "mp-1215080",
"created_at": "2022-09-04T14:39:07.800906Z",
"structure_string": "Ag12 S1 Br1\n1.0\n19.427257 0.000000 0.000000\n0.000000 19.427257 0.000000\n0.000000 0.000000 19.427257\nAg S Br\n12 1 1\ndirect\n0.097807 0.500000 0.000000 Ag\n0.902193 0.500000 0.000000 Ag\n0.000000 0.097807 0.500000 Ag\n0.500000 0.097807 0.000000 Ag\n0.000000 0.902193 0.500000 Ag\n0.500000 0.902193 0.000000 Ag\n0.500000 0.000000 0.097807 Ag\n0.097807 0.000000 0.500000 Ag\n0.500000 0.000000 0.902193 Ag\n0.902193 0.000000 0.500000 Ag\n0.000000 0.500000 0.097807 Ag\n0.000000 0.500000 0.902193 Ag\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"S",
"Br"
],
"chemical_system": "Ag-Br-S",
"density": 0.31850745949852477,
"density_atomic": 0.0019093853207317948,
"volume": 7332.202593154079,
"volume_molar": 315.39682926293483,
"formula_full": "Ag12 S1 Br1",
"formula_reduced": "Ag12SBr",
"formula_anonymous": "ABC12",
"energy": -18.00708367,
"energy_per_atom": -1.2862202621428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.97008367,
"band_gap": 0.3277000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0875149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.016000Z",
"spacegroup": 221
},
{
"id": "mp-1097332",
"created_at": "2022-09-04T14:42:41.469779Z",
"structure_string": "Li2 Ca1 Tl1\n1.0\n-6.068685 6.347169 8.736742\n6.068685 -6.347169 8.736742\n6.068685 6.347169 -8.736742\nLi Ca Tl\n2 1 1\ndirect\n0.272300 0.000000 0.272300 Li\n0.727700 0.000000 0.727700 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ca",
"Tl"
],
"chemical_system": "Ca-Li-Tl",
"density": 0.3186853800317066,
"density_atomic": 0.002971500661899502,
"volume": 1346.1211876167108,
"volume_molar": 202.66328179615502,
"formula_full": "Li2 Ca1 Tl1",
"formula_reduced": "Li2CaTl",
"formula_anonymous": "ABC2",
"energy": -3.75095977,
"energy_per_atom": -0.9377399425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.75095977,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9998575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.538000Z",
"spacegroup": 71
},
{
"id": "mp-1096214",
"created_at": "2022-09-04T14:42:24.034429Z",
"structure_string": "Ca2 Mg1 Pb1\n1.0\n-6.482277 6.656142 9.405301\n6.482277 -6.656142 9.405301\n6.482277 6.656142 -9.405301\nCa Mg Pb\n2 1 1\ndirect\n0.000000 0.268108 0.268108 Ca\n0.000000 0.731892 0.731892 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Pb"
],
"chemical_system": "Ca-Mg-Pb",
"density": 0.3188223093527739,
"density_atomic": 0.0024642067182152113,
"volume": 1623.2404410037243,
"volume_molar": 244.38456057622258,
"formula_full": "Ca2 Mg1 Pb1",
"formula_reduced": "Ca2MgPb",
"formula_anonymous": "ABC2",
"energy": -4.18225669,
"energy_per_atom": -1.0455641725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.18225669,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0002599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.145000Z",
"spacegroup": 71
},
{
"id": "mp-1096181",
"created_at": "2022-09-04T14:41:10.401644Z",
"structure_string": "Ca2 Ga1 Ag1\n1.0\n-5.948416 6.313936 8.927113\n5.948416 -6.313936 8.927113\n5.948416 6.313936 -8.927113\nCa Ga Ag\n2 1 1\ndirect\n0.000000 0.247694 0.247694 Ca\n0.000000 0.752306 0.752306 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
"Ca",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ca-Ga",
"density": 0.3191321231457882,
"density_atomic": 0.0029825481204618226,
"volume": 1341.1351094582285,
"volume_molar": 201.9126101833865,
"formula_full": "Ca2 Ga1 Ag1",
"formula_reduced": "Ca2GaAg",
"formula_anonymous": "ABC2",
"energy": -4.98475827,
"energy_per_atom": -1.2461895675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.98475827,
"band_gap": 0.0064999999999999,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.932000Z",
"spacegroup": 71
},
{
"id": "mp-1206473",
"created_at": "2022-09-04T14:46:12.504078Z",
"structure_string": "Pr2 Zn1 Sb3\n1.0\n9.486870 0.000000 0.000000\n0.000000 9.486870 0.000000\n0.000000 0.000000 41.142718\nPr Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242785 Pr\n0.500000 0.500000 0.757215 Pr\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.690792 Sb\n0.500000 0.500000 0.309208 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Sb"
],
"chemical_system": "Pr-Sb-Zn",
"density": 0.3195197511753382,
"density_atomic": 0.0016203632044126794,
"volume": 3702.8735185175806,
"volume_molar": 371.65375908315565,
"formula_full": "Pr2 Zn1 Sb3",
"formula_reduced": "Pr2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -12.0693538,
"energy_per_atom": -2.0115589666666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -11.4933538,
"band_gap": 0.1044,
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"updated_at": "2021-11-28T01:37:27.816000Z",
"spacegroup": 123
},
{
"id": "mp-1097602",
"created_at": "2022-09-04T14:41:10.758351Z",
"structure_string": "La2 Mg1 Al1\n1.0\n-6.137076 7.376686 9.443863\n6.137076 -7.376686 9.443863\n6.137076 7.376686 -9.443863\nLa Mg Al\n2 1 1\ndirect\n0.000000 0.267876 0.267876 La\n0.000000 0.732124 0.732124 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"Mg",
"Al"
],
"chemical_system": "Al-La-Mg",
"density": 0.319551737941436,
"density_atomic": 0.0023389854639269013,
"volume": 1710.1431632176273,
"volume_molar": 257.46807121620515,
"formula_full": "La2 Mg1 Al1",
"formula_reduced": "La2MgAl",
"formula_anonymous": "ABC2",
"energy": -6.27040001,
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"energy_uncorrected": -6.27040001,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:15.302000Z",
"spacegroup": 71
},
{
"id": "mp-1097626",
"created_at": "2022-09-04T14:44:59.028696Z",
"structure_string": "Y2 Mg1 Zn1\n1.0\n-6.102177 6.350623 8.965326\n6.102177 -6.350623 8.965326\n6.102177 6.350623 -8.965326\nY Mg Zn\n2 1 1\ndirect\n0.000000 0.264324 0.264324 Y\n0.000000 0.735676 0.735676 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Y-Zn",
"density": 0.31965933857929446,
"density_atomic": 0.0028782782855452916,
"volume": 1389.7196876646685,
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"formula_full": "Y2 Mg1 Zn1",
"formula_reduced": "Y2MgZn",
"formula_anonymous": "ABC2",
"energy": -6.80531463,
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"energy_above_hull": null,
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"energy_uncorrected": -6.80531463,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:46.909000Z",
"spacegroup": 71
},
{
"id": "mp-1096069",
"created_at": "2022-09-04T14:40:31.812405Z",
"structure_string": "Ba2 Na1 In1\n1.0\n-7.195333 7.255329 10.248390\n7.195333 -7.255329 10.248390\n7.195333 7.255329 -10.248390\nBa Na In\n2 1 1\ndirect\n0.000000 0.268231 0.268231 Ba\n0.000000 0.731769 0.731769 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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],
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"density": 0.3200436051318614,
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"volume": 2140.048638329161,
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"formula_full": "Ba2 Na1 In1",
"formula_reduced": "Ba2NaIn",
"formula_anonymous": "ABC2",
"energy": -3.58585173,
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"band_gap": 0.1417000000000001,
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"updated_at": "2021-11-28T01:34:56.999000Z",
"spacegroup": 71
},
{
"id": "mp-1207532",
"created_at": "2022-09-04T14:42:55.439057Z",
"structure_string": "Zr2 Cu1 Sn3\n1.0\n8.987911 0.000000 0.000000\n0.000000 8.987911 0.000000\n0.000000 0.000000 38.670931\nZr Cu Sn\n2 1 3\ndirect\n0.500000 0.500000 0.251613 Zr\n0.500000 0.500000 0.748387 Zr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.675783 Sn\n0.500000 0.500000 0.324217 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cu-Sn-Zr",
"density": 0.3200610908596486,
"density_atomic": 0.0019206538270741974,
"volume": 3123.936190594023,
"volume_molar": 313.54639108358987,
"formula_full": "Zr2 Cu1 Sn3",
"formula_reduced": "Zr2CuSn3",
"formula_anonymous": "AB2C3",
"energy": -13.02978642,
"energy_per_atom": -2.17163107,
"energy_above_hull": null,
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"energy_uncorrected": -13.02978642,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:58.051000Z",
"spacegroup": 123
}
]
}