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{
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"results": [
{
"id": "mp-1095982",
"created_at": "2022-09-04T14:45:43.240758Z",
"structure_string": "Ca2 Al1 Cd1\n1.0\n-6.283447 6.470863 9.137937\n6.283447 -6.470863 9.137937\n6.283447 6.470863 -9.137937\nCa Al Cd\n2 1 1\ndirect\n0.000000 0.233045 0.233045 Ca\n0.000000 0.766955 0.766955 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cd\n",
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"chemical_system": "Al-Ca-Cd",
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"density_atomic": 0.002691483235814519,
"volume": 1486.1693904585984,
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"formula_full": "Ca2 Al1 Cd1",
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{
"id": "mp-1093696",
"created_at": "2022-09-04T14:43:24.159198Z",
"structure_string": "Ca2 Mg1 Al1\n1.0\n-6.396529 6.445862 9.091876\n6.396529 -6.445862 9.091876\n6.396529 6.445862 -9.091876\nCa Mg Al\n2 1 1\ndirect\n0.000000 0.270558 0.270558 Ca\n0.000000 0.729442 0.729442 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Ca-Mg",
"density": 0.14556137983054152,
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"volume": 1499.4737657232777,
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"formula_full": "Ca2 Mg1 Al1",
"formula_reduced": "Ca2MgAl",
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"energy_uncorrected": -3.26167003,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.429000Z",
"spacegroup": 71
},
{
"id": "mp-1080797",
"created_at": "2022-09-04T14:48:18.246364Z",
"structure_string": "Cs4 Hg4\n1.0\n7.460698 0.000000 0.000000\n-0.402889 7.727179 0.000000\n-1.963634 -2.413618 7.232654\nCs Hg\n4 4\ndirect\n0.260571 0.843190 0.053669 Cs\n0.739429 0.156810 0.946331 Cs\n0.813866 0.710044 0.363346 Cs\n0.186134 0.289956 0.636654 Cs\n0.313050 0.396804 0.216165 Hg\n0.686950 0.603196 0.783835 Hg\n0.631285 0.248842 0.445650 Hg\n0.368715 0.751158 0.554350 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Cs-Hg",
"density": 5.312523710125877,
"density_atomic": 0.01918632797059232,
"volume": 416.96358012132026,
"volume_molar": 31.387667141051608,
"formula_full": "Cs4 Hg4",
"formula_reduced": "CsHg",
"formula_anonymous": "AB",
"energy": -6.52555971,
"energy_per_atom": -0.81569496375,
"energy_above_hull": null,
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"energy_uncorrected": -6.52555971,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:40.452000Z",
"spacegroup": 2
},
{
"id": "mp-1039029",
"created_at": "2022-09-04T14:43:57.962952Z",
"structure_string": "Mg2 Cd4\n1.0\n6.663442 0.000000 0.000000\n0.000000 6.663442 0.000000\n0.000000 0.000000 4.444980\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.300790 0.300790 0.000000 Cd\n0.699210 0.699210 0.000000 Cd\n0.199210 0.800790 0.500000 Cd\n0.800790 0.199210 0.500000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.192111607027285,
"density_atomic": 0.03040074281937214,
"volume": 197.36359850314724,
"volume_molar": 19.8091895181013,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -4.89557103,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.89557103,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.320000Z",
"spacegroup": 136
},
{
"id": "mp-1097365",
"created_at": "2022-09-04T14:41:20.218240Z",
"structure_string": "Ba2 Zn1 Ag1\n1.0\n-6.564502 6.818154 9.432126\n6.564502 -6.818154 9.432126\n6.564502 6.818154 -9.432126\nBa Zn Ag\n2 1 1\ndirect\n0.742007 0.000000 0.742007 Ba\n0.257993 0.000000 0.257993 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ag"
],
"chemical_system": "Ag-Ba-Zn",
"density": 0.440475984388458,
"density_atomic": 0.0023687641140456763,
"volume": 1688.6442918827793,
"volume_molar": 254.2313404822156,
"formula_full": "Ba2 Zn1 Ag1",
"formula_reduced": "Ba2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.26761951,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.26761951,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.9997972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.983000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ba-Ga-Zn",
"density": 0.41069513575582467,
"density_atomic": 0.002414200502529215,
"volume": 1656.8632124007252,
"volume_molar": 249.4465871285736,
"formula_full": "Ba2 Zn1 Ga1",
"formula_reduced": "Ba2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.27036875,
"energy_per_atom": -0.8175921875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.27036875,
"band_gap": 0.0288999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0197156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.758000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"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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"energy_above_hull": null,
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"energy_uncorrected": -3.27183168,
"band_gap": 0.0,
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"total_magnetization": 0.000638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.253000Z",
"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,
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"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,
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"energy_uncorrected": -3.2828452,
"band_gap": 0.0070999999999998,
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"updated_at": "2021-11-28T01:37:15.483000Z",
"spacegroup": 71
},
{
"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,
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"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 0.2830795381878252,
"density_atomic": 0.0031673754706848544,
"volume": 1262.8752217794736,
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"formula_full": "Ca2 Zn1 Ga1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:33.806000Z",
"spacegroup": 71
},
{
"id": "mp-1183210",
"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,
"density_atomic": 0.04375284135652988,
"volume": 91.42263395890336,
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"formula_full": "Ag1 Hg3",
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"energy": -3.29175115,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.394000Z",
"spacegroup": 221
},
{
"id": "mp-1095790",
"created_at": "2022-09-04T14:43:05.120276Z",
"structure_string": "Mg2 Zn1 Ag1\n1.0\n-5.499054 5.774265 8.148287\n5.499054 -5.774265 8.148287\n5.499054 5.774265 -8.148287\nMg Zn Ag\n2 1 1\ndirect\n0.000000 0.256157 0.256157 Mg\n0.000000 0.743843 0.743843 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.356016677593046,
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"volume": 1034.9300669550555,
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"formula_full": "Mg2 Zn1 Ag1",
"formula_reduced": "Mg2ZnAg",
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"energy": -3.30510364,
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"updated_at": "2021-11-28T01:35:58.078000Z",
"spacegroup": 71
},
{
"id": "mp-1098699",
"created_at": "2022-09-04T14:41:12.766870Z",
"structure_string": "La2 Mg1 Hg1\n1.0\n-6.203273 6.381342 8.585471\n6.203273 -6.381342 8.585471\n6.203273 6.381342 -8.585471\nLa Mg Hg\n2 1 1\ndirect\n0.742616 0.000000 0.742616 La\n0.257384 0.000000 0.257384 La\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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"Mg",
"Hg"
],
"chemical_system": "Hg-La-Mg",
"density": 0.6140533178237924,
"density_atomic": 0.002942408450839323,
"volume": 1359.4305708505556,
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"formula_full": "La2 Mg1 Hg1",
"formula_reduced": "La2MgHg",
"formula_anonymous": "ABC2",
"energy": -3.30995135,
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"total_magnetization": 0.9284836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.215000Z",
"spacegroup": 71
}
]
}