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{
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"results": [
{
"id": "mp-1096711",
"created_at": "2022-09-04T14:44:20.908080Z",
"structure_string": "Y1 Cd1 Cu2\n1.0\n-5.408301 5.754775 8.170760\n5.408301 -5.754775 8.170760\n5.408301 5.754775 -8.170760\nY Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.247853 0.247853 Cu\n0.000000 0.752147 0.752147 Cu\n",
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{
"id": "mp-1096739",
"created_at": "2022-09-04T14:45:55.790424Z",
"structure_string": "Na1 Sn1 Rh2\n1.0\n-5.278746 5.846501 8.240870\n5.278746 -5.846501 8.240870\n5.278746 5.846501 -8.240870\nNa Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sn\n0.000000 0.270843 0.270843 Rh\n0.000000 0.729157 0.729157 Rh\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Na-Rh-Sn",
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"volume": 1017.3253070192198,
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"updated_at": "2021-11-28T01:37:10.687000Z",
"spacegroup": 71
},
{
"id": "mp-1096128",
"created_at": "2022-09-04T14:42:37.681436Z",
"structure_string": "La2 Ir1 Rh1\n1.0\n-4.869863 6.080579 8.598649\n4.869863 -6.080579 8.598649\n4.869863 6.080579 -8.598649\nLa Ir Rh\n2 1 1\ndirect\n0.000000 0.248049 0.248049 La\n0.000000 0.751951 0.751951 La\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-La-Rh",
"density": 0.934117217560415,
"density_atomic": 0.00392742680366667,
"volume": 1018.4785611448124,
"volume_molar": 153.3355314064082,
"formula_full": "La2 Ir1 Rh1",
"formula_reduced": "La2IrRh",
"formula_anonymous": "ABC2",
"energy": -21.29590525,
"energy_per_atom": -5.3239763125,
"energy_above_hull": null,
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"energy_uncorrected": -21.29590525,
"band_gap": 0.0,
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"total_magnetization": 4.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.872000Z",
"spacegroup": 71
},
{
"id": "mp-1097676",
"created_at": "2022-09-04T14:47:55.581283Z",
"structure_string": "Li2 In1 Ga1\n1.0\n-5.632012 5.699566 7.937797\n5.632012 -5.699566 7.937797\n5.632012 5.699566 -7.937797\nLi In Ga\n2 1 1\ndirect\n0.243624 0.000000 0.243624 Li\n0.756376 0.000000 0.756376 Li\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"In",
"Ga"
],
"chemical_system": "Ga-In-Li",
"density": 0.32327771740660316,
"density_atomic": 0.003924593256763273,
"volume": 1019.2139002192848,
"volume_molar": 153.4462392917282,
"formula_full": "Li2 In1 Ga1",
"formula_reduced": "Li2InGa",
"formula_anonymous": "ABC2",
"energy": -5.043159,
"energy_per_atom": -1.26078975,
"energy_above_hull": null,
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"energy_uncorrected": -5.043159,
"band_gap": 0.0139,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.761000Z",
"spacegroup": 71
},
{
"id": "mp-1097627",
"created_at": "2022-09-04T14:41:21.458609Z",
"structure_string": "Sc1 Hg1 Au2\n1.0\n-5.511979 5.716754 8.101620\n5.511979 -5.716754 8.101620\n5.511979 5.716754 -8.101620\nSc Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Hg\n0.000000 0.233910 0.233910 Au\n0.000000 0.766090 0.766090 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
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],
"chemical_system": "Au-Hg-Sc",
"density": 1.0398878394457658,
"density_atomic": 0.003917157846480706,
"volume": 1021.1485359451935,
"volume_molar": 153.7375055082469,
"formula_full": "Sc1 Hg1 Au2",
"formula_reduced": "ScHgAu2",
"formula_anonymous": "ABC2",
"energy": -9.58245568,
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"energy_uncorrected": -9.58245568,
"band_gap": 0.0064000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.876000Z",
"spacegroup": 71
},
{
"id": "mp-1097181",
"created_at": "2022-09-04T14:45:04.957520Z",
"structure_string": "Zr1 Sc1 Zn2\n1.0\n-5.629388 5.664049 8.008459\n5.629388 -5.664049 8.008459\n5.629388 5.664049 -8.008459\nZr Sc Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250162 0.250162 Zn\n0.000000 0.749838 0.749838 Zn\n",
"nsites": 4,
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"elements": [
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"Sc",
"Zn"
],
"chemical_system": "Sc-Zn-Zr",
"density": 0.43407005849231683,
"density_atomic": 0.003916181925565797,
"volume": 1021.403008345199,
"volume_molar": 153.77581722355606,
"formula_full": "Zr1 Sc1 Zn2",
"formula_reduced": "ZrScZn2",
"formula_anonymous": "ABC2",
"energy": -7.61256136,
"energy_per_atom": -1.90314034,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -7.61256136,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.1685739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.111000Z",
"spacegroup": 71
},
{
"id": "mp-1093677",
"created_at": "2022-09-04T14:45:23.935607Z",
"structure_string": "Li1 Ag2 Hg1\n1.0\n-5.375072 5.795618 8.201091\n5.375072 -5.795618 8.201091\n5.375072 5.795618 -8.201091\nLi Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.244359 0.244359 Ag\n0.000000 0.755641 0.755641 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
"Li",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Li",
"density": 0.6877779638033747,
"density_atomic": 0.003914211877485918,
"volume": 1021.9170870661154,
"volume_molar": 153.85321358403306,
"formula_full": "Li1 Ag2 Hg1",
"formula_reduced": "LiAg2Hg",
"formula_anonymous": "ABC2",
"energy": -4.5750338,
"energy_per_atom": -1.14375845,
"energy_above_hull": null,
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"energy_uncorrected": -4.5750338,
"band_gap": 0.4537999999999997,
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"is_magnetic": false,
"total_magnetization": 0.790277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.948000Z",
"spacegroup": 71
},
{
"id": "mp-1096514",
"created_at": "2022-09-04T14:40:05.978184Z",
"structure_string": "Ti1 Re2 Mo1\n1.0\n-4.694319 6.298739 8.650875\n4.694319 -6.298739 8.650875\n4.694319 6.298739 -8.650875\nTi Re Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.254692 0.254692 Re\n0.000000 0.745308 0.745308 Re\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
"Ti",
"Re",
"Mo"
],
"chemical_system": "Mo-Re-Ti",
"density": 0.8377964691277149,
"density_atomic": 0.003909432794916635,
"volume": 1023.1663286810117,
"volume_molar": 154.04129130523694,
"formula_full": "Ti1 Re2 Mo1",
"formula_reduced": "TiRe2Mo",
"formula_anonymous": "ABC2",
"energy": -26.03427302,
"energy_per_atom": -6.508568255,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -26.03427302,
"band_gap": 0.1015999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.892000Z",
"spacegroup": 71
},
{
"id": "mp-1096330",
"created_at": "2022-09-04T14:47:25.764481Z",
"structure_string": "Li1 Ag1 Hg2\n1.0\n-5.464573 5.757897 8.131084\n5.464573 -5.757897 8.131084\n5.464573 5.757897 -8.131084\nLi Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.244839 0.244839 Hg\n0.000000 0.755161 0.755161 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Li",
"density": 0.8372615481917002,
"density_atomic": 0.003908691808191634,
"volume": 1023.3602945151641,
"volume_molar": 154.07049354413437,
"formula_full": "Li1 Ag1 Hg2",
"formula_reduced": "LiAgHg2",
"formula_anonymous": "ABC2",
"energy": -3.43945336,
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"band_gap": 1.0433999999999997,
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"total_magnetization": 6.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.904000Z",
"spacegroup": 71
},
{
"id": "mp-1096552",
"created_at": "2022-09-04T14:43:38.608374Z",
"structure_string": "Li2 Zn1 In1\n1.0\n-5.659438 5.666380 7.984573\n5.659438 -5.666380 7.984573\n5.659438 5.666380 -7.984573\nLi Zn In\n2 1 1\ndirect\n0.000000 0.249083 0.249083 Li\n0.000000 0.750917 0.750917 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
"chemical_system": "In-Li-Zn",
"density": 0.3147053167340577,
"density_atomic": 0.003905433990073246,
"volume": 1024.2139568015027,
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"formula_full": "Li2 Zn1 In1",
"formula_reduced": "Li2ZnIn",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.128000Z",
"spacegroup": 71
},
{
"id": "mp-1093550",
"created_at": "2022-09-04T14:46:36.187894Z",
"structure_string": "Ca1 Sb1 Pd2\n1.0\n-4.968552 6.008016 8.578464\n4.968552 -6.008016 8.578464\n4.968552 6.008016 -8.578464\nCa Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sb\n0.000000 0.246030 0.246030 Pd\n0.000000 0.753970 0.753970 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.6074028794582432,
"density_atomic": 0.0039050765077116175,
"volume": 1024.3077164047697,
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"formula_full": "Ca1 Sb1 Pd2",
"formula_reduced": "CaSbPd2",
"formula_anonymous": "ABC2",
"energy": -11.62453303,
"energy_per_atom": -2.9061332575,
"energy_above_hull": null,
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"band_gap": 0.0245999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.264000Z",
"spacegroup": 71
},
{
"id": "mp-1096408",
"created_at": "2022-09-04T14:40:04.972645Z",
"structure_string": "Li2 Mg1 Ga1\n1.0\n-5.654088 5.769143 7.853717\n5.654088 -5.769143 7.853717\n5.654088 5.769143 -7.853717\nLi Mg Ga\n2 1 1\ndirect\n0.262825 0.000000 0.262825 Li\n0.737175 0.000000 0.737175 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Li-Mg",
"density": 0.1748645132233259,
"density_atomic": 0.003903470347228855,
"volume": 1024.7291881798649,
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"formula_full": "Li2 Mg1 Ga1",
"formula_reduced": "Li2MgGa",
"formula_anonymous": "ABC2",
"energy": -3.87996639,
"energy_per_atom": -0.9699915975,
"energy_above_hull": null,
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"energy_uncorrected": -3.87996639,
"band_gap": 0.0,
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"total_magnetization": 1.0015322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.326000Z",
"spacegroup": 71
}
]
}