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{
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"results": [
{
"id": "mp-1097677",
"created_at": "2022-09-04T14:40:54.469316Z",
"structure_string": "Na1 Mg2 Cd1\n1.0\n-6.243948 6.313858 8.926340\n6.243948 -6.313858 8.926340\n6.243948 6.313858 -8.926340\nNa Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254479 0.254479 Mg\n0.000000 0.745521 0.745521 Mg\n0.000000 0.500000 0.500000 Cd\n",
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"elements": [
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"density": 0.217072513164477,
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"spacegroup": 71
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{
"id": "mp-1183639",
"created_at": "2022-09-04T14:42:01.708940Z",
"structure_string": "Cd1 Hg3\n1.0\n0.000000 3.863088 3.863088\n3.863088 0.000000 3.863088\n3.863088 3.863088 0.000000\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"formula_full": "Cd1 Hg3",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.478000Z",
"spacegroup": 225
},
{
"id": "mp-1096326",
"created_at": "2022-09-04T14:40:34.120689Z",
"structure_string": "K1 Na1 Hg2\n1.0\n-6.443670 6.736404 9.057524\n6.443670 -6.736404 9.057524\n6.443670 6.736404 -9.057524\nK Na Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.237187 0.000000 0.237187 Hg\n0.762813 0.000000 0.762813 Hg\n",
"nsites": 4,
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"elements": [
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"Na",
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],
"chemical_system": "Hg-K-Na",
"density": 0.4891595810297792,
"density_atomic": 0.002543484472530325,
"volume": 1572.6457319476754,
"volume_molar": 236.76734908505324,
"formula_full": "K1 Na1 Hg2",
"formula_reduced": "KNaHg2",
"formula_anonymous": "ABC2",
"energy": -1.67575721,
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"is_stable": null,
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"energy_uncorrected": -1.67575721,
"band_gap": 0.0516,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.073000Z",
"spacegroup": 71
},
{
"id": "mp-95",
"created_at": "2022-09-04T14:39:34.815180Z",
"structure_string": "Sr1\n1.0\n-2.376775 2.376775 2.376775\n2.376775 -2.376775 2.376775\n2.376775 2.376775 -2.376775\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.709119378588865,
"density_atomic": 0.01861983364430939,
"volume": 53.70617262768193,
"volume_molar": 32.34261312447596,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.67643704,
"energy_per_atom": -1.67643704,
"energy_above_hull": null,
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"energy_uncorrected": -1.67643704,
"band_gap": 0.0,
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"total_magnetization": 0.001281,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.579000Z",
"spacegroup": 229
},
{
"id": "mp-1183650",
"created_at": "2022-09-04T14:46:23.762641Z",
"structure_string": "Cd1 Hg3\n1.0\n-2.327198 2.327198 5.140748\n2.327198 -2.327198 5.140748\n2.327198 2.327198 -5.140748\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 10.648891766929818,
"density_atomic": 0.03591757561773172,
"volume": 111.36609114634362,
"volume_molar": 16.766556919356777,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy": -1.6781049,
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"energy_uncorrected": -1.6781049,
"band_gap": 0.0,
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"total_magnetization": 0.0009084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.546000Z",
"spacegroup": 139
},
{
"id": "mp-1096498",
"created_at": "2022-09-04T14:44:43.711218Z",
"structure_string": "Ba2 Na1 Mg1\n1.0\n-7.323016 7.512237 10.373433\n7.323016 -7.512237 10.373433\n7.323016 7.512237 -10.373433\nBa Na Mg\n2 1 1\ndirect\n0.740948 0.000000 0.740948 Ba\n0.259052 0.000000 0.259052 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Mg"
],
"chemical_system": "Ba-Mg-Na",
"density": 0.23420389057920193,
"density_atomic": 0.0017523394162980775,
"volume": 2282.662800823279,
"volume_molar": 343.6629173543408,
"formula_full": "Ba2 Na1 Mg1",
"formula_reduced": "Ba2NaMg",
"formula_anonymous": "ABC2",
"energy": -1.68091375,
"energy_per_atom": -0.4202284375,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -1.68091375,
"band_gap": 0.1331,
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"total_magnetization": 0.9997494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.729000Z",
"spacegroup": 71
},
{
"id": "mp-76",
"created_at": "2022-09-04T14:41:59.589468Z",
"structure_string": "Sr1\n1.0\n0.000000 3.011265 3.011265\n3.011265 0.000000 3.011265\n3.011265 3.011265 0.000000\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.664252742875994,
"density_atomic": 0.018311464327048572,
"volume": 54.61059706311206,
"volume_molar": 32.887270250170346,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.68309255,
"energy_per_atom": -1.68309255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.68309255,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0014988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.655000Z",
"spacegroup": 225
},
{
"id": "mp-971757",
"created_at": "2022-09-04T14:40:19.831370Z",
"structure_string": "Zn1 Hg3\n1.0\n0.000000 3.708506 3.708506\n3.708506 0.000000 3.708506\n3.708506 3.708506 0.000000\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 10.860867411297363,
"density_atomic": 0.03921326801301141,
"volume": 102.00629028605202,
"volume_molar": 15.357405962700648,
"formula_full": "Zn1 Hg3",
"formula_reduced": "ZnHg3",
"formula_anonymous": "AB3",
"energy": -1.68375966,
"energy_per_atom": -0.420939915,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.68375966,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 1.52e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.854000Z",
"spacegroup": 225
},
{
"id": "mp-971767",
"created_at": "2022-09-04T14:46:22.711344Z",
"structure_string": "Zn1 Hg3\n1.0\n-2.193442 2.193442 5.052836\n2.193442 -2.193442 5.052836\n2.193442 2.193442 -5.052836\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 11.39315383633264,
"density_atomic": 0.041135093356619266,
"volume": 97.24057182323955,
"volume_molar": 14.639910277560961,
"formula_full": "Zn1 Hg3",
"formula_reduced": "ZnHg3",
"formula_anonymous": "AB3",
"energy": -1.71103303,
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"energy_above_hull": null,
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"energy_uncorrected": -1.71103303,
"band_gap": 0.0,
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"total_magnetization": 0.0003372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.332000Z",
"spacegroup": 139
},
{
"id": "mp-1095981",
"created_at": "2022-09-04T14:42:22.932092Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 0.32292717663534454,
"density_atomic": 0.0028586447189492066,
"volume": 1399.2644743451497,
"volume_molar": 210.6641906243475,
"formula_full": "Na1 Mg1 Cd2",
"formula_reduced": "NaMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.71110916,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:49.610000Z",
"spacegroup": 71
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{
"id": "mp-1077098",
"created_at": "2022-09-04T14:43:41.639420Z",
"structure_string": "Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n",
"nsites": 6,
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"elements": [
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"density": 8.858264989926415,
"density_atomic": 0.026594405841344038,
"volume": 225.6113573581823,
"volume_molar": 22.644389184427254,
"formula_full": "Hg6",
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"energy": -1.71442074,
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"updated_at": "2021-11-28T01:36:20.064000Z",
"spacegroup": 14
},
{
"id": "mp-11832",
"created_at": "2022-09-04T14:39:58.717468Z",
"structure_string": "Cs2\n1.0\n2.756158 -4.773806 0.000000\n2.756158 4.773806 0.000000\n0.000000 0.000000 8.894133\nCs\n2\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Cs",
"density": 1.8859032028740623,
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"volume": 234.04668352834315,
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"formula_full": "Cs2",
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"energy": -1.72060413,
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"updated_at": "2021-11-28T01:34:41.956000Z",
"spacegroup": 194
}
]
}