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{
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"results": [
{
"id": "mp-975383",
"created_at": "2022-09-04T14:45:06.820429Z",
"structure_string": "Rb1 Ca3\n1.0\n5.831550 0.000000 0.000000\n0.000000 5.831550 0.000000\n0.000000 0.000000 5.831550\nRb Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
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"elements": [
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"chemical_system": "Ca-Rb",
"density": 1.722404607463397,
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"volume": 198.31337740844884,
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"formula_full": "Rb1 Ca3",
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{
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"created_at": "2022-09-04T14:45:29.542235Z",
"structure_string": "Y1 Hg2 Au1\n1.0\n-5.841499 6.241692 8.817641\n5.841499 -6.241692 8.817641\n5.841499 6.241692 -8.817641\nY Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.267129 0.267129 Hg\n0.000000 0.732871 0.732871 Hg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Hg-Y",
"density": 0.8871558590211424,
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"volume": 1285.994305228776,
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"formula_full": "Y1 Hg2 Au1",
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"updated_at": "2021-11-28T01:37:01.297000Z",
"spacegroup": 71
},
{
"id": "mp-1184961",
"created_at": "2022-09-04T14:42:10.244119Z",
"structure_string": "K1 Li3\n1.0\n0.000000 4.021023 4.021023\n4.021023 0.000000 4.021023\n4.021023 4.021023 0.000000\nK Li\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "K-Li",
"density": 0.7652276551222398,
"density_atomic": 0.030762407719347847,
"volume": 130.02883377962064,
"volume_molar": 19.57629849698796,
"formula_full": "K1 Li3",
"formula_reduced": "KLi3",
"formula_anonymous": "AB3",
"energy": -6.10117913,
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"energy_above_hull": null,
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"energy_uncorrected": -6.10117913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0139476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.760000Z",
"spacegroup": 225
},
{
"id": "mp-1096640",
"created_at": "2022-09-04T14:43:11.381351Z",
"structure_string": "Mg1 Zn1 Cu2\n1.0\n-4.905263 5.205578 7.361628\n4.905263 -5.205578 7.361628\n4.905263 5.205578 -7.361628\nMg Zn Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.251267 0.251267 Cu\n0.000000 0.748733 0.748733 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Cu"
],
"chemical_system": "Cu-Mg-Zn",
"density": 0.4788012544407444,
"density_atomic": 0.005319794749782169,
"volume": 751.9087085387625,
"volume_molar": 113.20250203725604,
"formula_full": "Mg1 Zn1 Cu2",
"formula_reduced": "MgZnCu2",
"formula_anonymous": "ABC2",
"energy": -6.10140632,
"energy_per_atom": -1.52535158,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.10140632,
"band_gap": 1.4998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.760000Z",
"spacegroup": 71
},
{
"id": "mp-1093818",
"created_at": "2022-09-04T14:45:16.423123Z",
"structure_string": "Li1 Cd2 Ir1\n1.0\n-5.439470 5.741305 8.115416\n5.439470 -5.741305 8.115416\n5.439470 5.741305 -8.115416\nLi Cd Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.252124 0.252124 Cd\n0.000000 0.747876 0.747876 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Li",
"density": 0.6944747899268586,
"density_atomic": 0.003945681344078739,
"volume": 1013.766609917138,
"volume_molar": 152.62613056772543,
"formula_full": "Li1 Cd2 Ir1",
"formula_reduced": "LiCd2Ir",
"formula_anonymous": "ABC2",
"energy": -6.10526517,
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"energy_above_hull": null,
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"energy_uncorrected": -6.10526517,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.102000Z",
"spacegroup": 71
},
{
"id": "mp-971934",
"created_at": "2022-09-04T14:47:10.517412Z",
"structure_string": "Zn3 In1\n1.0\n-2.109865 2.109865 4.094772\n2.109865 -2.109865 4.094772\n2.109865 2.109865 -4.094772\nZn In\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"In"
],
"chemical_system": "In-Zn",
"density": 7.083913836960168,
"density_atomic": 0.05486064880982278,
"volume": 72.91200681687529,
"volume_molar": 10.977159203632562,
"formula_full": "Zn3 In1",
"formula_reduced": "Zn3In",
"formula_anonymous": "AB3",
"energy": -6.10736337,
"energy_per_atom": -1.5268408425,
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"is_stable": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0002634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.760000Z",
"spacegroup": 139
},
{
"id": "mp-1094433",
"created_at": "2022-09-04T14:44:56.961313Z",
"structure_string": "Mg3 Zn1\n1.0\n-2.227952 2.227952 4.116959\n2.227952 -2.227952 4.116959\n2.227952 2.227952 -4.116959\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8099490376955756,
"density_atomic": 0.048934121741063444,
"volume": 81.74255218405952,
"volume_molar": 12.306628883351296,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy": -6.10788581,
"energy_per_atom": -1.5269714525,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.10788581,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0035085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.834000Z",
"spacegroup": 139
},
{
"id": "mp-1186834",
"created_at": "2022-09-04T14:40:36.434804Z",
"structure_string": "Rb4 Mg2\n1.0\n-5.002542 5.002542 3.581331\n5.002542 -5.002542 3.581331\n5.002542 5.002542 -3.581331\nRb Mg\n4 2\ndirect\n0.665551 0.834449 0.500000 Rb\n0.334449 0.165551 0.500000 Rb\n0.165551 0.665551 0.831101 Rb\n0.834449 0.334449 0.168899 Rb\n0.750000 0.750000 0.000000 Mg\n0.250000 0.250000 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.8086864555467723,
"density_atomic": 0.016736525747880683,
"volume": 358.49734230294297,
"volume_molar": 35.982024290570415,
"formula_full": "Rb4 Mg2",
"formula_reduced": "Rb2Mg",
"formula_anonymous": "AB2",
"energy": -6.11146617,
"energy_per_atom": -1.018577695,
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"energy_uncorrected": -6.11146617,
"band_gap": 0.0,
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"total_magnetization": 0.0032061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.842000Z",
"spacegroup": 140
},
{
"id": "mp-1095964",
"created_at": "2022-09-04T14:46:53.204538Z",
"structure_string": "Zn2 Ag1 Pd1\n1.0\n-4.942607 5.410266 7.649045\n4.942607 -5.410266 7.649045\n4.942607 5.410266 -7.649045\nZn Ag Pd\n2 1 1\ndirect\n0.000000 0.243881 0.243881 Zn\n0.000000 0.756119 0.756119 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
"chemical_system": "Ag-Pd-Zn",
"density": 0.7004222826527714,
"density_atomic": 0.004888978035205581,
"volume": 818.1668993388719,
"volume_molar": 123.17790582478592,
"formula_full": "Zn2 Ag1 Pd1",
"formula_reduced": "Zn2AgPd",
"formula_anonymous": "ABC2",
"energy": -6.11377131,
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"updated_at": "2021-11-28T01:37:38.903000Z",
"spacegroup": 71
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{
"id": "mp-1097189",
"created_at": "2022-09-04T14:42:15.114745Z",
"structure_string": "Sr2 Ag1 Sn1\n1.0\n-6.360781 6.585447 9.305209\n6.360781 -6.585447 9.305209\n6.360781 6.585447 -9.305209\nSr Ag Sn\n2 1 1\ndirect\n0.000000 0.248863 0.248863 Sr\n0.000000 0.751137 0.751137 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Sn-Sr",
"density": 0.4279537889769045,
"density_atomic": 0.00256553631158059,
"volume": 1559.1281955138875,
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"formula_full": "Sr2 Ag1 Sn1",
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"updated_at": "2021-11-28T01:35:38.346000Z",
"spacegroup": 71
},
{
"id": "mp-1097463",
"created_at": "2022-09-04T14:48:03.459065Z",
"structure_string": "Li1 Zn1 Cu2\n1.0\n-4.693046 4.919308 6.635100\n4.693046 -4.919308 6.635100\n4.693046 4.919308 -6.635100\nLi Zn Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n0.259414 0.000000 0.259414 Cu\n0.740586 0.000000 0.740586 Cu\n",
"nsites": 4,
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"density": 0.5405046421212351,
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"volume": 612.7259725672316,
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"formula_full": "Li1 Zn1 Cu2",
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"updated_at": "2021-11-28T01:38:24.960000Z",
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{
"id": "mp-985285",
"created_at": "2022-09-04T14:39:34.794591Z",
"structure_string": "Co1 Hg3\n1.0\n4.288468 0.000000 0.000000\n0.000000 4.288468 0.000000\n0.000000 0.000000 4.288468\nCo Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 13.910699949681536,
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"volume": 78.86903395900323,
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"formula_full": "Co1 Hg3",
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"energy": -6.12265325,
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"updated_at": "2021-11-28T01:34:44.212000Z",
"spacegroup": 221
}
]
}