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{
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"results": [
{
"id": "mp-1095906",
"created_at": "2022-09-04T14:39:20.910511Z",
"structure_string": "Sr1 La1 Zn2\n1.0\n-5.783109 6.413229 8.189541\n5.783109 -6.413229 8.189541\n5.783109 6.413229 -8.189541\nSr La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.263199 0.000000 0.263199 Zn\n0.736801 0.000000 0.736801 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "La-Sr-Zn",
"density": 0.48840181507350566,
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"volume": 1214.9479666452498,
"volume_molar": 182.914691780337,
"formula_full": "Sr1 La1 Zn2",
"formula_reduced": "SrLaZn2",
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{
"id": "mp-1097233",
"created_at": "2022-09-04T14:45:55.108501Z",
"structure_string": "Na1 Ga1 Hg2\n1.0\n-5.764739 6.117765 8.610543\n5.764739 -6.117765 8.610543\n5.764739 6.117765 -8.610543\nNa Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ga\n0.000000 0.254056 0.254056 Hg\n0.000000 0.745944 0.745944 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Hg-Na",
"density": 0.6751787954370948,
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"volume": 1214.683049354014,
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"formula_full": "Na1 Ga1 Hg2",
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"updated_at": "2021-11-28T01:37:09.436000Z",
"spacegroup": 71
},
{
"id": "mp-1097276",
"created_at": "2022-09-04T14:40:16.802960Z",
"structure_string": "La1 Ag2 Au1\n1.0\n-5.530826 6.240619 8.778548\n5.530826 -6.240619 8.778548\n5.530826 6.240619 -8.778548\nLa Ag Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.262191 0.262191 Ag\n0.000000 0.737809 0.737809 Ag\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Au"
],
"chemical_system": "Ag-Au-La",
"density": 0.7557526088063532,
"density_atomic": 0.003300347325934865,
"volume": 1211.9936494462593,
"volume_molar": 182.46990892978673,
"formula_full": "La1 Ag2 Au1",
"formula_reduced": "LaAg2Au",
"formula_anonymous": "ABC2",
"energy": -7.8934653,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -7.8934653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8101318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.911000Z",
"spacegroup": 71
},
{
"id": "mp-1097492",
"created_at": "2022-09-04T14:42:08.005232Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n-5.435779 6.275193 8.874172\n5.435779 -6.275193 8.874172\n5.435779 6.275193 -8.874172\nSr Pd Pt\n2 1 1\ndirect\n0.000000 0.251289 0.251289 Sr\n0.000000 0.748711 0.748711 Sr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pd",
"Pt"
],
"chemical_system": "Pd-Pt-Sr",
"density": 0.6538191265503867,
"density_atomic": 0.0033035682152495758,
"volume": 1210.8119885448803,
"volume_molar": 182.29200572281943,
"formula_full": "Sr2 Pd1 Pt1",
"formula_reduced": "Sr2PdPt",
"formula_anonymous": "ABC2",
"energy": -11.52522048,
"energy_per_atom": -2.88130512,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -11.52522048,
"band_gap": 1.0858,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.528000Z",
"spacegroup": 71
},
{
"id": "mp-1096459",
"created_at": "2022-09-04T14:41:47.137862Z",
"structure_string": "Mg1 Sc2 Hg1\n1.0\n-5.940174 6.000677 8.483881\n5.940174 -6.000677 8.483881\n5.940174 6.000677 -8.483881\nMg Sc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.255796 0.255796 Sc\n0.000000 0.744204 0.744204 Sc\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sc",
"Hg"
],
"chemical_system": "Hg-Mg-Sc",
"density": 0.43215471803319633,
"density_atomic": 0.0033067854246938253,
"volume": 1209.633975682096,
"volume_molar": 182.11465174089997,
"formula_full": "Mg1 Sc2 Hg1",
"formula_reduced": "MgSc2Hg",
"formula_anonymous": "ABC2",
"energy": -6.65997615,
"energy_per_atom": -1.6649940375,
"energy_above_hull": null,
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"energy_uncorrected": -6.65997615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9994562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.813000Z",
"spacegroup": 71
},
{
"id": "mp-1097472",
"created_at": "2022-09-04T14:41:29.615454Z",
"structure_string": "Sc1 Ag1 Hg2\n1.0\n-5.732533 6.093610 8.638878\n5.732533 -6.093610 8.638878\n5.732533 6.093610 -8.638878\nSc Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.257716 0.257716 Hg\n0.000000 0.742284 0.742284 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Sc",
"density": 0.762120308759482,
"density_atomic": 0.0033137629685971192,
"volume": 1207.0869395023142,
"volume_molar": 181.7311864810135,
"formula_full": "Sc1 Ag1 Hg2",
"formula_reduced": "ScAgHg2",
"formula_anonymous": "ABC2",
"energy": -5.05289334,
"energy_per_atom": -1.263223335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.05289334,
"band_gap": 0.0933000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.520000Z",
"spacegroup": 71
},
{
"id": "mp-1093921",
"created_at": "2022-09-04T14:46:59.531307Z",
"structure_string": "Y2 Hg1 Ir1\n1.0\n-5.638035 6.269078 8.531216\n5.638035 -6.269078 8.531216\n5.638035 6.269078 -8.531216\nY Hg Ir\n2 1 1\ndirect\n0.000000 0.216351 0.216351 Y\n0.000000 0.783649 0.783649 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
"Y",
"Hg",
"Ir"
],
"chemical_system": "Hg-Ir-Y",
"density": 0.7855841767495513,
"density_atomic": 0.00331632909531315,
"volume": 1206.1529133682957,
"volume_molar": 181.5905655596991,
"formula_full": "Y2 Hg1 Ir1",
"formula_reduced": "Y2HgIr",
"formula_anonymous": "ABC2",
"energy": -14.99033851,
"energy_per_atom": -3.7475846275,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -14.99033851,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.3597712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.343000Z",
"spacegroup": 71
},
{
"id": "mp-1097487",
"created_at": "2022-09-04T14:48:00.856327Z",
"structure_string": "Mn1 Nb2 Mo1\n1.0\n-4.923585 6.150991 9.935697\n4.923585 -6.150991 9.935697\n4.923585 6.150991 -9.935697\nMn Nb Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.263196 0.263196 Nb\n0.000000 0.736804 0.736804 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Mo"
],
"chemical_system": "Mn-Mo-Nb",
"density": 0.46451045345297926,
"density_atomic": 0.003323342716356002,
"volume": 1203.6074342600282,
"volume_molar": 181.20733472240838,
"formula_full": "Mn1 Nb2 Mo1",
"formula_reduced": "MnNb2Mo",
"formula_anonymous": "ABC2",
"energy": -23.92045769,
"energy_per_atom": -5.9801144225,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -23.92045769,
"band_gap": 0.0064999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.820000Z",
"spacegroup": 71
},
{
"id": "mp-1097405",
"created_at": "2022-09-04T14:44:19.318170Z",
"structure_string": "Sc2 Cd1 Ga1\n1.0\n-5.724604 6.154295 8.539208\n5.724604 -6.154295 8.539208\n5.724604 6.154295 -8.539208\nSc Cd Ga\n2 1 1\ndirect\n0.000000 0.230902 0.230902 Sc\n0.000000 0.769098 0.769098 Sc\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Sc",
"density": 0.3753961531925013,
"density_atomic": 0.003323981883388899,
"volume": 1203.3759931091683,
"volume_molar": 181.17249044270505,
"formula_full": "Sc2 Cd1 Ga1",
"formula_reduced": "Sc2CdGa",
"formula_anonymous": "ABC2",
"energy": -8.69436242,
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"energy_uncorrected": -8.69436242,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.218000Z",
"spacegroup": 71
},
{
"id": "mp-1093908",
"created_at": "2022-09-04T14:47:15.257543Z",
"structure_string": "Zr2 Cd1 Hg1\n1.0\n-5.881318 5.980706 8.552660\n5.881318 -5.980706 8.552660\n5.881318 5.980706 -8.552660\nZr Cd Hg\n2 1 1\ndirect\n0.000000 0.252824 0.252824 Zr\n0.000000 0.747176 0.747176 Zr\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Zr",
"density": 0.6836908045183916,
"density_atomic": 0.003324081600770406,
"volume": 1203.3398936635429,
"volume_molar": 181.1670555441322,
"formula_full": "Zr2 Cd1 Hg1",
"formula_reduced": "Zr2CdHg",
"formula_anonymous": "ABC2",
"energy": -7.81203408,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.509000Z",
"spacegroup": 71
},
{
"id": "mp-1093848",
"created_at": "2022-09-04T14:48:06.369833Z",
"structure_string": "Sr1 La1 Au2\n1.0\n-5.694938 6.098926 8.650714\n5.694938 -6.098926 8.650714\n5.694938 6.098926 -8.650714\nSr La Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.256249 0.256249 Au\n0.000000 0.743751 0.743751 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.8572502133880592,
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"volume": 1201.8611855694717,
"volume_molar": 180.944430836996,
"formula_full": "Sr1 La1 Au2",
"formula_reduced": "SrLaAu2",
"formula_anonymous": "ABC2",
"energy": -9.0974316,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:30.507000Z",
"spacegroup": 71
},
{
"id": "mp-1097584",
"created_at": "2022-09-04T14:41:25.909386Z",
"structure_string": "Y1 Ga1 Ag2\n1.0\n-5.616284 6.185913 8.645701\n5.616284 -6.185913 8.645701\n5.616284 6.185913 -8.645701\nY Ga Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.233413 0.233413 Ag\n0.000000 0.766587 0.766587 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Ga-Y",
"density": 0.5174061122000428,
"density_atomic": 0.003329253918551252,
"volume": 1201.4703888193148,
"volume_molar": 180.88559501104612,
"formula_full": "Y1 Ga1 Ag2",
"formula_reduced": "YGaAg2",
"formula_anonymous": "ABC2",
"energy": -8.73236137,
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"energy_above_hull": null,
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"energy_uncorrected": -8.73236137,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0004682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.402000Z",
"spacegroup": 71
}
]
}