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{
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"results": [
{
"id": "mp-981382",
"created_at": "2022-09-04T14:47:04.829634Z",
"structure_string": "Mg1 Hg5\n1.0\n5.810830 -2.804494 0.000000\n5.810830 2.804494 0.000000\n4.457290 0.000000 4.665136\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.157750 0.842250 0.500000 Hg\n0.500000 0.157750 0.842250 Hg\n0.842250 0.500000 0.157750 Hg\n0.661910 0.661910 0.661910 Hg\n0.338090 0.338090 0.338090 Hg\n",
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"elements": [
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"density": 11.21864411730014,
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"spacegroup": 155
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{
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"created_at": "2022-09-04T14:40:20.030070Z",
"structure_string": "Ag1 Hg3\n1.0\n4.504894 0.000000 0.000000\n0.000000 4.504894 0.000000\n0.000000 0.000000 4.504894\nAg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\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": 12.889389675443114,
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"formula_full": "Ag1 Hg3",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.394000Z",
"spacegroup": 221
},
{
"id": "mp-2197",
"created_at": "2022-09-04T14:40:56.348301Z",
"structure_string": "Ba1 Hg1\n1.0\n4.221566 0.000000 0.000000\n0.000000 4.221566 0.000000\n0.000000 0.000000 4.221566\nBa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 7.458274923604161,
"density_atomic": 0.02658332160397026,
"volume": 75.23514291386735,
"volume_molar": 22.653831036301288,
"formula_full": "Ba1 Hg1",
"formula_reduced": "BaHg",
"formula_anonymous": "AB",
"energy": -3.28871749,
"energy_per_atom": -1.644358745,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.28871749,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001513,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.628000Z",
"spacegroup": 221
},
{
"id": "mp-1060982",
"created_at": "2022-09-04T14:41:29.351785Z",
"structure_string": "Cs1 B1\n1.0\n0.000000 3.459952 3.459952\n3.459952 0.000000 3.459952\n3.459952 3.459952 0.000000\nCs B\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"B"
],
"chemical_system": "B-Cs",
"density": 2.8808149818867275,
"density_atomic": 0.02414291906191159,
"volume": 82.84002422703081,
"volume_molar": 24.943714322849488,
"formula_full": "Cs1 B1",
"formula_reduced": "CsB",
"formula_anonymous": "AB",
"energy": -3.28348712,
"energy_per_atom": -1.64174356,
"energy_above_hull": null,
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"energy_uncorrected": -3.28348712,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9844447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.215000Z",
"spacegroup": 225
},
{
"id": "mp-1096562",
"created_at": "2022-09-04T14:41:59.349222Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n-6.061325 6.065944 8.586862\n6.061325 -6.065944 8.586862\n6.061325 6.065944 -8.586862\nCa Zn Ga\n2 1 1\ndirect\n0.000000 0.263078 0.263078 Ca\n0.000000 0.736922 0.736922 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 0.2830795381878252,
"density_atomic": 0.0031673754706848544,
"volume": 1262.8752217794736,
"volume_molar": 190.1303086968052,
"formula_full": "Ca2 Zn1 Ga1",
"formula_reduced": "Ca2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.2831717,
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"energy_uncorrected": -3.2831717,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:33.806000Z",
"spacegroup": 71
},
{
"id": "mp-1096651",
"created_at": "2022-09-04T14:45:42.729894Z",
"structure_string": "Mg2 Cd1 Ag1\n1.0\n-5.643985 5.981177 8.451988\n5.643985 -5.981177 8.451988\n5.643985 5.981177 -8.451988\nMg Cd Ag\n2 1 1\ndirect\n0.000000 0.236818 0.236818 Mg\n0.000000 0.763182 0.763182 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Mg",
"density": 0.39122904357131755,
"density_atomic": 0.0035048434382650446,
"volume": 1141.2777975555068,
"volume_molar": 171.82338857855115,
"formula_full": "Mg2 Cd1 Ag1",
"formula_reduced": "Mg2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.2828452,
"energy_per_atom": -0.8207113,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.2828452,
"band_gap": 0.0070999999999998,
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"total_magnetization": 0.0014023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.483000Z",
"spacegroup": 71
},
{
"id": "mp-972892",
"created_at": "2022-09-04T14:48:18.444757Z",
"structure_string": "Mg1 Hg5\n1.0\n1.790345 -8.479789 0.000000\n1.790345 8.479789 0.000000\n0.000000 0.000000 5.076391\nMg Hg\n1 5\ndirect\n0.779523 0.220477 0.500000 Mg\n0.325575 0.674425 0.000000 Hg\n0.666238 0.333762 0.000000 Hg\n0.001216 0.998784 0.000000 Hg\n0.439790 0.560210 0.500000 Hg\n0.120989 0.879011 0.500000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.066760885315237,
"density_atomic": 0.038926415640709575,
"volume": 154.13697617011388,
"volume_molar": 15.470576113619858,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy": -3.27679059,
"energy_per_atom": -0.546131765,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"total_magnetization": 3.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.836000Z",
"spacegroup": 38
},
{
"id": "mp-1182980",
"created_at": "2022-09-04T14:45:58.000667Z",
"structure_string": "Ag1 I1\n1.0\n5.179415 -8.971011 0.000000\n5.179415 8.971011 0.000000\n0.000000 0.000000 7.883519\nAg I\n1 1\ndirect\n0.000000 0.000000 0.997507 Ag\n0.000000 0.000000 0.672493 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 0.5321381835694491,
"density_atomic": 0.0027299694179338564,
"volume": 732.608939448734,
"volume_molar": 220.5937077697296,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -3.65522895,
"energy_per_atom": -1.827614475,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.27622895,
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"total_magnetization": 2.62e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.890000Z",
"spacegroup": 183
},
{
"id": "mp-1185887",
"created_at": "2022-09-04T14:46:13.005342Z",
"structure_string": "Mg1 Hg5\n1.0\n3.037677 -5.261411 0.000000\n3.037677 5.261411 0.000000\n0.000000 0.000000 4.856729\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.689762 0.500000 Hg\n0.689762 0.000000 0.500000 Hg\n0.310238 0.310238 0.500000 Hg\n0.666667 0.333333 0.000000 Hg\n0.333333 0.666667 0.000000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.987772864360347,
"density_atomic": 0.0386485818132518,
"volume": 155.24502371113456,
"volume_molar": 15.581789751299832,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy": -3.27526193,
"energy_per_atom": -0.5458769883333333,
"energy_above_hull": null,
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"energy_uncorrected": -3.27526193,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.422000Z",
"spacegroup": 189
},
{
"id": "mp-81",
"created_at": "2022-09-04T14:39:13.991322Z",
"structure_string": "Au1\n1.0\n0.000000 2.085644 2.085644\n2.085644 0.000000 2.085644\n2.085644 2.085644 0.000000\nAu\n1\ndirect\n0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Au",
"density": 18.02565607297311,
"density_atomic": 0.05511241768155413,
"volume": 18.144731116281537,
"volume_molar": 10.927012483459935,
"formula_full": "Au1",
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"energy": -3.27388154,
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"energy_above_hull": null,
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"energy_uncorrected": -3.27388154,
"band_gap": 0.0,
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"total_magnetization": 5.36e-05,
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"updated_at": "2021-11-28T01:34:32.101000Z",
"spacegroup": 225
},
{
"id": "mp-1096465",
"created_at": "2022-09-04T14:47:15.663126Z",
"structure_string": "Sr2 Cd1 Ag1\n1.0\n-6.700585 6.815479 9.457945\n6.700585 -6.815479 9.457945\n6.700585 6.815479 -9.457945\nSr Cd Ag\n2 1 1\ndirect\n0.766492 0.000000 0.766492 Sr\n0.233508 0.000000 0.233508 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Sr",
"density": 0.38014631753407924,
"density_atomic": 0.00231522983903387,
"volume": 1727.690241617296,
"volume_molar": 260.10984561744414,
"formula_full": "Sr2 Cd1 Ag1",
"formula_reduced": "Sr2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.27183168,
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"updated_at": "2021-11-28T01:38:03.253000Z",
"spacegroup": 71
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{
"id": "mp-1096058",
"created_at": "2022-09-04T14:39:26.342511Z",
"structure_string": "Ba2 Zn1 Ga1\n1.0\n-6.584391 6.773162 9.287944\n6.584391 -6.773162 9.287944\n6.584391 6.773162 -9.287944\nBa Zn Ga\n2 1 1\ndirect\n0.263926 0.000000 0.263926 Ba\n0.736074 0.000000 0.736074 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 0.41069513575582467,
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"volume": 1656.8632124007252,
"volume_molar": 249.4465871285736,
"formula_full": "Ba2 Zn1 Ga1",
"formula_reduced": "Ba2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.27036875,
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"updated_at": "2021-11-28T01:34:32.758000Z",
"spacegroup": 71
}
]
}