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"results": [
{
"id": "mp-1093736",
"created_at": "2022-09-04T14:39:49.464646Z",
"structure_string": "Sr2 Mg1 Cd1\n1.0\n-6.659173 7.547183 9.414880\n6.659173 -7.547183 9.414880\n6.659173 7.547183 -9.414880\nSr Mg Cd\n2 1 1\ndirect\n0.746927 0.000000 0.746927 Sr\n0.253073 0.000000 0.253073 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
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"elements": [
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{
"id": "mp-1096148",
"created_at": "2022-09-04T14:47:28.760524Z",
"structure_string": "Ba2 Zn1 Hg1\n1.0\n-6.820881 6.854115 9.634875\n6.820881 -6.854115 9.634875\n6.820881 6.854115 -9.634875\nBa Zn Hg\n2 1 1\ndirect\n0.251619 0.000000 0.251619 Ba\n0.748381 0.000000 0.748381 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
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"elements": [
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"updated_at": "2021-11-28T01:38:09.681000Z",
"spacegroup": 71
},
{
"id": "mp-1095796",
"created_at": "2022-09-04T14:39:09.862556Z",
"structure_string": "Sr2 Zn1 Hg1\n1.0\n-6.602590 7.174756 9.335879\n6.602590 -7.174756 9.335879\n6.602590 7.174756 -9.335879\nSr Zn Hg\n2 1 1\ndirect\n0.249283 0.000000 0.249283 Sr\n0.750717 0.000000 0.750717 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Sr-Zn",
"density": 0.4141773237978437,
"density_atomic": 0.002261118481705077,
"volume": 1769.0360024759325,
"volume_molar": 266.33459541044436,
"formula_full": "Sr2 Zn1 Hg1",
"formula_reduced": "Sr2ZnHg",
"formula_anonymous": "ABC2",
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"band_gap": 0.5849,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.791000Z",
"spacegroup": 71
},
{
"id": "mp-1097615",
"created_at": "2022-09-04T14:42:43.651075Z",
"structure_string": "Ba2 Mg1 Hg1\n1.0\n-6.802746 7.104682 9.645393\n6.802746 -7.104682 9.645393\n6.802746 7.104682 -9.645393\nBa Mg Hg\n2 1 1\ndirect\n0.264218 0.000000 0.264218 Ba\n0.735782 0.000000 0.735782 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
"chemical_system": "Ba-Hg-Mg",
"density": 0.4448548940688712,
"density_atomic": 0.0021451179289987002,
"volume": 1864.699346327837,
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"formula_full": "Ba2 Mg1 Hg1",
"formula_reduced": "Ba2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.22113816,
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"energy_uncorrected": -1.22113816,
"band_gap": 0.0692999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.262000Z",
"spacegroup": 71
},
{
"id": "mp-1096352",
"created_at": "2022-09-04T14:46:03.994167Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n-6.716222 7.276144 9.496108\n6.716222 -7.276144 9.496108\n6.716222 7.276144 -9.496108\nSr Cd Hg\n2 1 1\ndirect\n0.251368 0.000000 0.251368 Sr\n0.748632 0.000000 0.748632 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cd-Hg-Sr",
"density": 0.4367685700253632,
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"volume": 1856.2307593899686,
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"formula_full": "Sr2 Cd1 Hg1",
"formula_reduced": "Sr2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.223107,
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"band_gap": 0.5243000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.98e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.940000Z",
"spacegroup": 71
},
{
"id": "mp-1097100",
"created_at": "2022-09-04T14:41:21.335675Z",
"structure_string": "Ba1 Sr1 Zn2\n1.0\n-6.547546 6.665013 9.246458\n6.547546 -6.665013 9.246458\n6.547546 6.665013 -9.246458\nBa Sr Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.253391 0.000000 0.253391 Zn\n0.746609 0.000000 0.746609 Zn\n",
"nsites": 4,
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"elements": [
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"Sr",
"Zn"
],
"chemical_system": "Ba-Sr-Zn",
"density": 0.36601372057388754,
"density_atomic": 0.0024782495705299606,
"volume": 1614.0424465582057,
"volume_molar": 242.99977014470733,
"formula_full": "Ba1 Sr1 Zn2",
"formula_reduced": "BaSrZn2",
"formula_anonymous": "ABC2",
"energy": -1.23601828,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -1.23601828,
"band_gap": 0.0,
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"total_magnetization": 0.0413096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.647000Z",
"spacegroup": 71
},
{
"id": "mp-1096405",
"created_at": "2022-09-04T14:46:33.921761Z",
"structure_string": "Ba1 Sr2 Ca1\n1.0\n-7.789858 7.804859 11.027813\n7.789858 -7.804859 11.027813\n7.789858 7.804859 -11.027813\nBa Sr Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.741732 0.000000 0.741732 Sr\n0.258268 0.000000 0.258268 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
"Ba",
"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 0.21834479368707307,
"density_atomic": 0.001491475089397117,
"volume": 2681.908687872807,
"volume_molar": 403.77079059592376,
"formula_full": "Ba1 Sr2 Ca1",
"formula_reduced": "BaSr2Ca",
"formula_anonymous": "ABC2",
"energy": -1.2566258,
"energy_per_atom": -0.31415645,
"energy_above_hull": null,
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"energy_uncorrected": -1.2566258,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.046000Z",
"spacegroup": 71
},
{
"id": "mp-1095881",
"created_at": "2022-09-04T14:39:27.446377Z",
"structure_string": "Ba1 Sr1 Cd2\n1.0\n-7.039475 7.532108 9.767602\n7.039475 -7.532108 9.767602\n7.039475 7.532108 -9.767602\nBa Sr Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.247223 0.000000 0.247223 Cd\n0.752777 0.000000 0.752777 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Cd-Sr",
"density": 0.3605237337973591,
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"volume": 2071.5945315972044,
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"formula_full": "Ba1 Sr1 Cd2",
"formula_reduced": "BaSrCd2",
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"updated_at": "2021-11-28T01:34:36.355000Z",
"spacegroup": 71
},
{
"id": "mp-1179325",
"created_at": "2022-09-04T14:40:35.686988Z",
"structure_string": "Sr1\n1.0\n3.773016 0.000000 0.000000\n0.000000 3.773016 0.000000\n0.000000 0.000000 3.881346\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
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"elements": [
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],
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"volume": 55.25348216121829,
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"formula_full": "Sr1",
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"formula_anonymous": "A",
"energy": -1.28977295,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:54.499000Z",
"spacegroup": 123
},
{
"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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],
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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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"updated_at": "2021-11-28T01:35:21.110000Z",
"spacegroup": 71
},
{
"id": "mp-639774",
"created_at": "2022-09-04T14:47:03.918638Z",
"structure_string": "Sr1\n1.0\n3.851356 0.000000 0.000000\n0.000000 3.851356 0.000000\n0.000000 0.000000 3.851356\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
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"updated_at": "2021-11-28T01:37:54.881000Z",
"spacegroup": 221
},
{
"id": "mp-1097603",
"created_at": "2022-09-04T14:47:56.378380Z",
"structure_string": "Ba2 Mg1 Zn1\n1.0\n-6.715351 6.753879 9.569154\n6.715351 -6.753879 9.569154\n6.715351 6.753879 -9.569154\nBa Mg Zn\n2 1 1\ndirect\n0.000000 0.266732 0.266732 Ba\n0.000000 0.733268 0.733268 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"formula_full": "Ba2 Mg1 Zn1",
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"energy": -1.29842723,
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"updated_at": "2021-11-28T01:38:21.682000Z",
"spacegroup": 71
}
]
}