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{
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"results": [
{
"id": "mp-1093913",
"created_at": "2022-09-04T14:39:34.381671Z",
"structure_string": "La1 Zn1 Ag2\n1.0\n-5.878273 6.959780 9.601569\n5.878273 -6.959780 9.601569\n5.878273 6.959780 -9.601569\nLa Zn Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.234464 0.234464 Ag\n0.000000 0.765536 0.765536 Ag\n",
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"elements": [
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"chemical_system": "Ag-La-Zn",
"density": 0.44391878581184147,
"density_atomic": 0.0025457311064167533,
"volume": 1571.257855913229,
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"formula_full": "La1 Zn1 Ag2",
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"updated_at": "2021-11-28T01:34:28.421000Z",
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{
"id": "mp-1097221",
"created_at": "2022-09-04T14:47:14.321079Z",
"structure_string": "Y2 Mg1 Hg1\n1.0\n-6.147972 6.377526 10.018809\n6.147972 -6.377526 10.018809\n6.147972 6.377526 -10.018809\nY Mg Hg\n2 1 1\ndirect\n0.264053 0.000000 0.264053 Y\n0.735947 0.000000 0.735947 Y\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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],
"chemical_system": "Hg-Mg-Y",
"density": 0.42557660468885544,
"density_atomic": 0.0025456563980533137,
"volume": 1571.3039682255767,
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"formula_full": "Y2 Mg1 Hg1",
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"updated_at": "2021-11-28T01:37:59.612000Z",
"spacegroup": 71
},
{
"id": "mp-1096326",
"created_at": "2022-09-04T14:40:34.120689Z",
"structure_string": "K1 Na1 Hg2\n1.0\n-6.443670 6.736404 9.057524\n6.443670 -6.736404 9.057524\n6.443670 6.736404 -9.057524\nK Na Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.237187 0.000000 0.237187 Hg\n0.762813 0.000000 0.762813 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Na",
"Hg"
],
"chemical_system": "Hg-K-Na",
"density": 0.4891595810297792,
"density_atomic": 0.002543484472530325,
"volume": 1572.6457319476754,
"volume_molar": 236.76734908505324,
"formula_full": "K1 Na1 Hg2",
"formula_reduced": "KNaHg2",
"formula_anonymous": "ABC2",
"energy": -1.67575721,
"energy_per_atom": -0.4189393025,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.67575721,
"band_gap": 0.0516,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.073000Z",
"spacegroup": 71
},
{
"id": "mp-1097503",
"created_at": "2022-09-04T14:42:01.806422Z",
"structure_string": "Ca2 Tl1 Sn1\n1.0\n-6.201427 6.704326 9.461468\n6.201427 -6.704326 9.461468\n6.201427 6.704326 -9.461468\nCa Tl Sn\n2 1 1\ndirect\n0.000000 0.243827 0.243827 Ca\n0.000000 0.756173 0.756173 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Sn"
],
"chemical_system": "Ca-Sn-Tl",
"density": 0.4255567111234998,
"density_atomic": 0.0025421122036755027,
"volume": 1573.494668809904,
"volume_molar": 236.8951595170706,
"formula_full": "Ca2 Tl1 Sn1",
"formula_reduced": "Ca2TlSn",
"formula_anonymous": "ABC2",
"energy": -5.66979066,
"energy_per_atom": -1.417447665,
"energy_above_hull": null,
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"energy_uncorrected": -5.66979066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1077664,
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"updated_at": "2021-11-28T01:35:37.240000Z",
"spacegroup": 71
},
{
"id": "mp-1096529",
"created_at": "2022-09-04T14:48:26.268420Z",
"structure_string": "La1 Mg2 Sc1\n1.0\n-6.113243 6.983582 9.218310\n6.113243 -6.983582 9.218310\n6.113243 6.983582 -9.218310\nLa Mg Sc\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.245280 0.245280 Mg\n0.000000 0.754720 0.754720 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Sc"
],
"chemical_system": "La-Mg-Sc",
"density": 0.24522085288981424,
"density_atomic": 0.0025409656555490322,
"volume": 1574.2046694982623,
"volume_molar": 237.00205261919538,
"formula_full": "La1 Mg2 Sc1",
"formula_reduced": "LaMg2Sc",
"formula_anonymous": "ABC2",
"energy": -5.13609459,
"energy_per_atom": -1.2840236475,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -5.13609459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4467419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.407000Z",
"spacegroup": 71
},
{
"id": "mp-1097624",
"created_at": "2022-09-04T14:47:23.852238Z",
"structure_string": "Sr1 Ca1 Zn2\n1.0\n-6.365359 6.870851 9.002936\n6.365359 -6.870851 9.002936\n6.365359 6.870851 -9.002936\nSr Ca Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245462 0.000000 0.245462 Zn\n0.754538 0.000000 0.754538 Zn\n",
"nsites": 4,
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"elements": [
"Sr",
"Ca",
"Zn"
],
"chemical_system": "Ca-Sr-Zn",
"density": 0.27255800247345296,
"density_atomic": 0.0025396999129288535,
"volume": 1574.989225946418,
"volume_molar": 237.12017035331934,
"formula_full": "Sr1 Ca1 Zn2",
"formula_reduced": "SrCaZn2",
"formula_anonymous": "ABC2",
"energy": -1.39198491,
"energy_per_atom": -0.3479962275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.39198491,
"band_gap": 0.4475,
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"is_magnetic": false,
"total_magnetization": 0.0004837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.627000Z",
"spacegroup": 71
},
{
"id": "mp-1093766",
"created_at": "2022-09-04T14:42:04.973341Z",
"structure_string": "Ca2 Zn1 In1\n1.0\n-6.223460 6.789714 9.322966\n6.223460 -6.789714 9.322966\n6.223460 6.789714 -9.322966\nCa Zn In\n2 1 1\ndirect\n0.000000 0.256219 0.256219 Ca\n0.000000 0.743781 0.743781 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"In"
],
"chemical_system": "Ca-In-Zn",
"density": 0.27438745309605744,
"density_atomic": 0.002538414360220736,
"volume": 1575.7868623356537,
"volume_molar": 237.24025731860124,
"formula_full": "Ca2 Zn1 In1",
"formula_reduced": "Ca2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.05550134,
"energy_per_atom": -0.763875335,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -3.05550134,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.6635124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.455000Z",
"spacegroup": 71
},
{
"id": "mp-1096423",
"created_at": "2022-09-04T14:44:28.569081Z",
"structure_string": "Na2 Tl1 Cd1\n1.0\n-6.434168 6.581107 9.307359\n6.434168 -6.581107 9.307359\n6.434168 6.581107 -9.307359\nNa Tl Cd\n2 1 1\ndirect\n0.000000 0.250003 0.250003 Na\n0.000000 0.749997 0.749997 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
"Na",
"Tl",
"Cd"
],
"chemical_system": "Cd-Na-Tl",
"density": 0.38212658446245024,
"density_atomic": 0.002537360565690905,
"volume": 1576.4413044351184,
"volume_molar": 237.33878587965737,
"formula_full": "Na2 Tl1 Cd1",
"formula_reduced": "Na2TlCd",
"formula_anonymous": "ABC2",
"energy": -3.00953429,
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"energy_above_hull": null,
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"energy_uncorrected": -3.00953429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9554281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.525000Z",
"spacegroup": 71
},
{
"id": "mp-1093735",
"created_at": "2022-09-04T14:43:14.725605Z",
"structure_string": "Ca1 Y1 Tl2\n1.0\n-6.140973 6.742133 9.532346\n6.140973 -6.742133 9.532346\n6.140973 6.742133 -9.532346\nCa Y Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255467 0.255467 Tl\n0.000000 0.744533 0.744533 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Tl"
],
"chemical_system": "Ca-Tl-Y",
"density": 0.5656341050644436,
"density_atomic": 0.002533761301757618,
"volume": 1578.6806741524083,
"volume_molar": 237.6759308709374,
"formula_full": "Ca1 Y1 Tl2",
"formula_reduced": "CaYTl2",
"formula_anonymous": "ABC2",
"energy": -6.92345745,
"energy_per_atom": -1.7308643625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.92345745,
"band_gap": 0.0443999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.226000Z",
"spacegroup": 71
},
{
"id": "mp-1093595",
"created_at": "2022-09-04T14:40:24.478115Z",
"structure_string": "Sc1 Pb1 Au2\n1.0\n-5.323281 7.299399 10.162126\n5.323281 -7.299399 10.162126\n5.323281 7.299399 -10.162126\nSc Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Pb\n0.000000 0.239375 0.239375 Au\n0.000000 0.760625 0.760625 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pb",
"Au"
],
"chemical_system": "Au-Pb-Sc",
"density": 0.6792512022049834,
"density_atomic": 0.0025324969383036205,
"volume": 1579.4688394290333,
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"formula_full": "Sc1 Pb1 Au2",
"formula_reduced": "ScPbAu2",
"formula_anonymous": "ABC2",
"energy": -11.60186703,
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"energy_above_hull": null,
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"energy_uncorrected": -11.60186703,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.993000Z",
"spacegroup": 71
},
{
"id": "mp-1093825",
"created_at": "2022-09-04T14:39:29.891096Z",
"structure_string": "Sr1 Mg1 Pb2\n1.0\n-6.038349 6.800592 9.616726\n6.038349 -6.800592 9.616726\n6.038349 6.800592 -9.616726\nSr Mg Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.233524 0.233524 Pb\n0.000000 0.766476 0.766476 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5532875938500602,
"density_atomic": 0.0025322572722771917,
"volume": 1579.6183285922234,
"volume_molar": 237.81709804645755,
"formula_full": "Sr1 Mg1 Pb2",
"formula_reduced": "SrMgPb2",
"formula_anonymous": "ABC2",
"energy": -5.98385943,
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"energy_above_hull": null,
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"energy_uncorrected": -5.98385943,
"band_gap": 0.4216000000000002,
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"updated_at": "2021-11-28T01:34:26.811000Z",
"spacegroup": 71
},
{
"id": "mp-1097202",
"created_at": "2022-09-04T14:48:09.877783Z",
"structure_string": "Ca2 Tl1 Zn1\n1.0\n-6.193555 6.719364 9.495983\n6.193555 -6.719364 9.495983\n6.193555 6.719364 -9.495983\nCa Tl Zn\n2 1 1\ndirect\n0.000000 0.254856 0.254856 Ca\n0.000000 0.745144 0.745144 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"Tl",
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],
"chemical_system": "Ca-Tl-Zn",
"density": 0.3676079533722175,
"density_atomic": 0.00253041588196662,
"volume": 1580.767821015742,
"volume_molar": 237.9901581758821,
"formula_full": "Ca2 Tl1 Zn1",
"formula_reduced": "Ca2TlZn",
"formula_anonymous": "ABC2",
"energy": -2.81154557,
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"energy_above_hull": null,
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"energy_uncorrected": -2.81154557,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.6326626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.812000Z",
"spacegroup": 71
}
]
}