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{
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{
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{
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{
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"structure_string": "Mg12 Cd2 Co2\n1.0\n4.853424 0.000000 0.000000\n0.000000 6.180555 0.000000\n0.000000 0.000000 10.597253\nMg Cd Co\n12 2 2\ndirect\n0.500000 0.251349 0.083655 Mg\n0.500000 0.748651 0.083655 Mg\n0.000000 0.235483 0.911715 Mg\n0.000000 0.764517 0.911715 Mg\n0.000000 0.500000 0.176168 Mg\n0.000000 0.500000 0.666693 Mg\n0.500000 0.751349 0.583655 Mg\n0.500000 0.248651 0.583655 Mg\n0.000000 0.735483 0.411715 Mg\n0.000000 0.264517 0.411715 Mg\n0.000000 0.000000 0.676168 Mg\n0.000000 0.000000 0.166693 Mg\n0.500000 0.500000 0.833409 Cd\n0.500000 0.000000 0.333409 Cd\n0.500000 0.500000 0.332995 Co\n0.500000 0.000000 0.832995 Co\n",
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{
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"structure_string": "Gd4 Cu2 O8\n1.0\n3.909540 3.909271 0.000132\n3.909392 -3.909123 0.000002\n1.954667 1.954535 -5.986798\nGd Cu O\n4 2 8\ndirect\n0.150889 0.500000 0.698231 Gd\n0.349286 0.000000 0.301427 Gd\n0.849290 0.500000 0.301418 Gd\n0.650635 0.000000 0.698733 Gd\n0.499977 0.500002 0.000041 Cu\n0.999978 0.000001 0.000037 Cu\n0.999955 0.249981 0.500042 O\n0.500009 0.750014 0.500038 O\n0.500056 0.249990 0.499946 O\n0.000002 0.750014 0.499949 O\n0.249896 0.750123 0.000036 O\n0.750066 0.249875 0.000031 O\n0.249902 0.249874 0.000037 O\n0.750059 0.750126 0.000032 O\n",
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"density": 8.02250164944301,
"density_atomic": 0.07650567486528853,
"volume": 182.9929613019067,
"volume_molar": 7.871495507495108,
"formula_full": "Gd4 Cu2 O8",
"formula_reduced": "Gd2CuO4",
"formula_anonymous": "AB2C4",
"energy": -146.9140905,
"energy_per_atom": -10.493863607142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.4180905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8500178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.416000Z",
"spacegroup": 139
},
{
"id": "mp-1094196",
"created_at": "2022-09-04T14:41:03.168701Z",
"structure_string": "Mg4 Sn2\n1.0\n2.671524 -4.889877 0.000000\n2.671524 4.889877 0.000000\n0.000000 0.000000 5.500966\nMg Sn\n4 2\ndirect\n0.006763 0.340749 0.750000 Mg\n0.340749 0.006763 0.750000 Mg\n0.659251 0.993237 0.250000 Mg\n0.993237 0.659251 0.250000 Mg\n0.673983 0.673983 0.750000 Sn\n0.326017 0.326017 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.866348324071868,
"density_atomic": 0.0417470006743914,
"volume": 143.72289992273724,
"volume_molar": 14.425325562835281,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy": -14.824047569999998,
"energy_per_atom": -2.4706745949999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.824047569999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.822000Z",
"spacegroup": 63
}
]
}