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"results": [
{
"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": [
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"density": 0.21834479368707307,
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"volume": 2681.908687872807,
"volume_molar": 403.77079059592376,
"formula_full": "Ba1 Sr2 Ca1",
"formula_reduced": "BaSr2Ca",
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"spacegroup": 71
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{
"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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],
"chemical_system": "Ba-Sr-Zn",
"density": 0.36601372057388754,
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"volume": 1614.0424465582057,
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"formula_full": "Ba1 Sr1 Zn2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.647000Z",
"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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"Hg"
],
"chemical_system": "Cd-Hg-Sr",
"density": 0.4367685700253632,
"density_atomic": 0.0021549044911391077,
"volume": 1856.2307593899686,
"volume_molar": 279.4620729022021,
"formula_full": "Sr2 Cd1 Hg1",
"formula_reduced": "Sr2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.223107,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.223107,
"band_gap": 0.5243000000000002,
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"total_magnetization": 1.98e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.940000Z",
"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,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Hg"
],
"chemical_system": "Ba-Hg-Mg",
"density": 0.4448548940688712,
"density_atomic": 0.0021451179289987002,
"volume": 1864.699346327837,
"volume_molar": 280.7370484666556,
"formula_full": "Ba2 Mg1 Hg1",
"formula_reduced": "Ba2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.22113816,
"energy_per_atom": -0.30528454,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.22113816,
"band_gap": 0.0692999999999999,
"is_gap_direct": true,
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"total_magnetization": 1.9999643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.262000Z",
"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,
"nelements": 3,
"elements": [
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"Zn",
"Hg"
],
"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",
"energy": -1.2179014,
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"energy_above_hull": null,
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"energy_uncorrected": -1.2179014,
"band_gap": 0.5849,
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"is_magnetic": false,
"total_magnetization": 0.0003969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.791000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Hg"
],
"chemical_system": "Ba-Hg-Zn",
"density": 0.49827578167068304,
"density_atomic": 0.0022200464220539637,
"volume": 1801.7641254092523,
"volume_molar": 271.2619294883202,
"formula_full": "Ba2 Zn1 Hg1",
"formula_reduced": "Ba2ZnHg",
"formula_anonymous": "ABC2",
"energy": -1.21157118,
"energy_per_atom": -0.302892795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.21157118,
"band_gap": 0.0318,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9997771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.681000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 0.2736922386555808,
"density_atomic": 0.002113391871511377,
"volume": 1892.6920529600734,
"volume_molar": 284.95144895647337,
"formula_full": "Sr2 Mg1 Cd1",
"formula_reduced": "Sr2MgCd",
"formula_anonymous": "ABC2",
"energy": -1.19464621,
"energy_per_atom": -0.2986615525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.19464621,
"band_gap": 0.3408000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.983000Z",
"spacegroup": 71
},
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"id": "mp-1095876",
"created_at": "2022-09-04T14:39:58.024201Z",
"structure_string": "Ca1 Mg1 Zn2\n1.0\n-6.274859 6.395490 8.846320\n6.274859 -6.395490 8.846320\n6.274859 6.395490 -8.846320\nCa Mg Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.237021 0.000000 0.237021 Zn\n0.762979 0.000000 0.762979 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Zn"
],
"chemical_system": "Ca-Mg-Zn",
"density": 0.22826046811260883,
"density_atomic": 0.002816823006834309,
"volume": 1420.0395233548616,
"volume_molar": 213.7919473601571,
"formula_full": "Ca1 Mg1 Zn2",
"formula_reduced": "CaMgZn2",
"formula_anonymous": "ABC2",
"energy": -1.1768391,
"energy_per_atom": -0.294209775,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.1768391,
"band_gap": 0.0776000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.232000Z",
"spacegroup": 71
},
{
"id": "mp-1093823",
"created_at": "2022-09-04T14:45:27.883366Z",
"structure_string": "Ca1 Mg1 Cd2\n1.0\n-6.457505 6.705527 9.132957\n6.457505 -6.705527 9.132957\n6.457505 6.705527 -9.132957\nCa Mg Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.238935 0.000000 0.238935 Cd\n0.761065 0.000000 0.761065 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Ca-Cd-Mg",
"density": 0.30358885463341156,
"density_atomic": 0.002528662805140144,
"volume": 1581.8637391545415,
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"formula_full": "Ca1 Mg1 Cd2",
"formula_reduced": "CaMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.16421649,
"energy_per_atom": -0.2910541225,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.842000Z",
"spacegroup": 71
},
{
"id": "mp-1093909",
"created_at": "2022-09-04T14:40:55.988763Z",
"structure_string": "Sr1 Ca1 Mg2\n1.0\n-6.744167 7.470960 9.536885\n6.744167 -7.470960 9.536885\n6.744167 7.470960 -9.536885\nSr Ca Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.753724 0.000000 0.753724 Mg\n0.246276 0.000000 0.246276 Mg\n",
"nsites": 4,
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"elements": [
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"Ca",
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],
"chemical_system": "Ca-Mg-Sr",
"density": 0.1523175173025896,
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"volume": 1922.0791340270575,
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"formula_full": "Sr1 Ca1 Mg2",
"formula_reduced": "SrCaMg2",
"formula_anonymous": "ABC2",
"energy": -1.16138882,
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"band_gap": 0.0525999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.038000Z",
"spacegroup": 71
},
{
"id": "mp-1093634",
"created_at": "2022-09-04T14:44:59.531857Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n-6.954643 7.766033 9.824773\n6.954643 -7.766033 9.824773\n6.954643 7.766033 -9.824773\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.749882 0.000000 0.749882 Mg\n0.250118 0.000000 0.250118 Mg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Mg-Sr",
"density": 0.2140130914711982,
"density_atomic": 0.001884531504246206,
"volume": 2122.5434496516737,
"volume_molar": 319.55638557545876,
"formula_full": "Ba1 Sr1 Mg2",
"formula_reduced": "BaSrMg2",
"formula_anonymous": "ABC2",
"energy": -1.15450105,
"energy_per_atom": -0.2886252625,
"energy_above_hull": null,
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"energy_uncorrected": -1.15450105,
"band_gap": 0.0103999999999999,
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"total_magnetization": 0.000913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.632000Z",
"spacegroup": 71
}
]
}