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{
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"results": [
{
"id": "mp-1096409",
"created_at": "2022-09-04T14:40:20.308853Z",
"structure_string": "Li1 Zn1 Hg2\n1.0\n-5.536487 5.569827 7.820869\n5.536487 -5.569827 7.820869\n5.536487 5.569827 -7.820869\nLi Zn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n0.245556 0.000000 0.245556 Hg\n0.754444 0.000000 0.754444 Hg\n",
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"volume": 964.6971454151162,
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"formula_full": "Li1 Zn1 Hg2",
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{
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"nsites": 4,
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"elements": [
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"updated_at": "2021-11-28T01:34:34.997000Z",
"spacegroup": 71
},
{
"id": "mp-1096612",
"created_at": "2022-09-04T14:48:16.236432Z",
"structure_string": "Mg2 Tl1 Cd1\n1.0\n-6.240350 6.504374 8.823433\n6.240350 -6.504374 8.823433\n6.240350 6.504374 -8.823433\nMg Tl Cd\n2 1 1\ndirect\n0.248040 0.000000 0.248040 Mg\n0.751960 0.000000 0.751960 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg-Tl",
"density": 0.4235558788384849,
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"volume": 1432.5574158421869,
"volume_molar": 215.6765601245876,
"formula_full": "Mg2 Tl1 Cd1",
"formula_reduced": "Mg2TlCd",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:40:09.403000Z",
"spacegroup": 71
},
{
"id": "mp-1097272",
"created_at": "2022-09-04T14:39:28.590871Z",
"structure_string": "Sr2 Li1 Mg1\n1.0\n-6.712454 7.375467 9.493325\n6.712454 -7.375467 9.493325\n6.712454 7.375467 -9.493325\nSr Li Mg\n2 1 1\ndirect\n0.753374 0.000000 0.753374 Sr\n0.246626 0.000000 0.246626 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"Li",
"Mg"
],
"chemical_system": "Li-Mg-Sr",
"density": 0.18238558969904387,
"density_atomic": 0.002127702012035324,
"volume": 1879.9625029134916,
"volume_molar": 283.0349704016739,
"formula_full": "Sr2 Li1 Mg1",
"formula_reduced": "Sr2LiMg",
"formula_anonymous": "ABC2",
"energy": -1.86530284,
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"band_gap": 0.0,
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"total_magnetization": 0.0070063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.555000Z",
"spacegroup": 71
},
{
"id": "mp-1095776",
"created_at": "2022-09-04T14:41:49.726763Z",
"structure_string": "Li1 Cd2 Hg1\n1.0\n-5.825904 5.915522 8.365056\n5.825904 -5.915522 8.365056\n5.825904 5.915522 -8.365056\nLi Cd Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.241485 0.241485 Cd\n0.000000 0.758515 0.758515 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"volume": 1153.1485091829477,
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"formula_full": "Li1 Cd2 Hg1",
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"energy_uncorrected": -1.87938963,
"band_gap": 0.0893999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.840000Z",
"spacegroup": 71
},
{
"id": "mp-1096727",
"created_at": "2022-09-04T14:40:26.280361Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-6.975387 7.610045 9.866200\n6.975387 -7.610045 9.866200\n6.975387 7.610045 -9.866200\nBa Li Mg\n2 1 1\ndirect\n0.749958 0.000000 0.749958 Ba\n0.250042 0.000000 0.250042 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"Li",
"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 0.24247286038432367,
"density_atomic": 0.00190938959950159,
"volume": 2094.910332099915,
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"formula_full": "Ba2 Li1 Mg1",
"formula_reduced": "Ba2LiMg",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -1.88659108,
"band_gap": 0.0,
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"total_magnetization": 0.9994844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.849000Z",
"spacegroup": 71
},
{
"id": "mp-674158",
"created_at": "2022-09-04T14:41:51.266078Z",
"structure_string": "P1\n1.0\n0.000000 3.936770 3.936770\n3.936770 0.000000 3.936770\n3.936770 3.936770 0.000000\nP\n1\ndirect\n0.000000 0.000000 0.000000 P\n",
"nsites": 1,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.42149548918761226,
"density_atomic": 0.00819501733909508,
"volume": 122.02536719835948,
"volume_molar": 73.48539375592077,
"formula_full": "P1",
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"formula_anonymous": "A",
"energy": -1.89552785,
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"band_gap": 2.0034,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.730000Z",
"spacegroup": 225
},
{
"id": "mp-1094336",
"created_at": "2022-09-04T14:44:16.222527Z",
"structure_string": "Sr1 Mg1\n1.0\n0.000000 3.924116 3.924116\n3.924116 0.000000 3.924116\n3.924116 3.924116 0.000000\nSr Mg\n1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 1.537873784960668,
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"volume": 120.8524632169072,
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"formula_full": "Sr1 Mg1",
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"updated_at": "2021-11-28T01:36:26.928000Z",
"spacegroup": 216
},
{
"id": "mp-135",
"created_at": "2022-09-04T14:45:03.944801Z",
"structure_string": "Li1\n1.0\n-1.713409 1.713409 1.713409\n1.713409 -1.713409 1.713409\n1.713409 1.713409 -1.713409\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n",
"nsites": 1,
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"elements": [
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"volume": 20.120701709953906,
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"formula_full": "Li1",
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"energy": -1.90379596,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:52.373000Z",
"spacegroup": 229
},
{
"id": "mp-10679",
"created_at": "2022-09-04T14:42:24.616798Z",
"structure_string": "Ba1\n1.0\n0.000000 3.175953 3.175953\n3.175953 0.000000 3.175953\n3.175953 3.175953 0.000000\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
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"elements": [
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"density_atomic": 0.015608019677661131,
"volume": 64.0696270668625,
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"formula_full": "Ba1",
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"updated_at": "2021-11-28T01:35:47.207000Z",
"spacegroup": 225
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{
"id": "mp-51",
"created_at": "2022-09-04T14:43:40.601870Z",
"structure_string": "Li1\n1.0\n0.000000 2.159945 2.159945\n2.159945 0.000000 2.159945\n2.159945 2.159945 0.000000\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n",
"nsites": 1,
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"formula_full": "Li1",
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"energy": -1.90603016,
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"updated_at": "2021-11-28T01:36:23.843000Z",
"spacegroup": 225
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{
"id": "mp-1093699",
"created_at": "2022-09-04T14:39:36.521986Z",
"structure_string": "Li1 Mg1 Hg2\n1.0\n-5.735928 5.804145 8.205321\n5.735928 -5.804145 8.205321\n5.735928 5.804145 -8.205321\nLi Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.239725 0.239725 Hg\n0.000000 0.760275 0.760275 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6571482929291771,
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"volume": 1092.6913668342422,
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"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
"formula_anonymous": "ABC2",
"energy": -1.91274908,
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"updated_at": "2021-11-28T01:34:30.145000Z",
"spacegroup": 71
}
]
}