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{
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{
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"structure_string": "Ga32 Cu12 Mo8\n1.0\n-6.007347 6.007347 6.007347\n6.007347 -6.007347 6.007347\n6.007347 6.007347 -6.007347\nGa Cu Mo\n32 12 8\ndirect\n0.992421 0.492373 0.257624 Ga\n0.000000 0.713050 0.500000 Ga\n0.765204 0.499952 0.507579 Ga\n0.734796 0.242376 0.734748 Ga\n0.500000 0.000000 0.713050 Ga\n0.000048 0.765252 0.007627 Ga\n0.507627 0.265252 0.500048 Ga\n0.765252 0.007627 0.000048 Ga\n0.286950 0.286950 0.286950 Ga\n0.499952 0.507579 0.765204 Ga\n0.713050 0.500000 0.000000 Ga\n0.213050 0.500000 0.000000 Ga\n0.265252 0.500048 0.507627 Ga\n0.507579 0.765204 0.499952 Ga\n0.500000 0.000000 0.213050 Ga\n0.992373 0.492421 0.757624 Ga\n0.786950 0.786950 0.786950 Ga\n0.000000 0.213050 0.500000 Ga\n0.492421 0.757624 0.992373 Ga\n0.007627 0.000048 0.765252 Ga\n0.757624 0.992373 0.492421 Ga\n0.500048 0.507627 0.265252 Ga\n0.742376 0.234796 0.234748 Ga\n0.242376 0.734748 0.734796 Ga\n0.234748 0.742376 0.234796 Ga\n0.999952 0.265204 0.007579 Ga\n0.007579 0.999952 0.265204 Ga\n0.734748 0.734796 0.242376 Ga\n0.265204 0.007579 0.999952 Ga\n0.234796 0.234748 0.742376 Ga\n0.257624 0.992421 0.492373 Ga\n0.492373 0.257624 0.992421 Ga\n0.750000 0.235645 0.485645 Cu\n0.235645 0.485645 0.750000 Cu\n0.764355 0.750000 0.514355 Cu\n0.485645 0.750000 0.235645 Cu\n0.250000 0.985645 0.735645 Cu\n0.985645 0.735645 0.250000 Cu\n0.735645 0.250000 0.985645 Cu\n0.750000 0.514355 0.764355 Cu\n0.250000 0.264355 0.014355 Cu\n0.264355 0.014355 0.250000 Cu\n0.514355 0.764355 0.750000 Cu\n0.014355 0.250000 0.264355 Cu\n0.500000 0.000000 0.960752 Mo\n0.460752 0.500000 0.000000 Mo\n0.960752 0.500000 0.000000 Mo\n0.539248 0.539248 0.539248 Mo\n0.000000 0.460752 0.500000 Mo\n0.000000 0.960752 0.500000 Mo\n0.500000 0.000000 0.460752 Mo\n0.039248 0.039248 0.039248 Mo\n",
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],
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"density": 7.202251809257206,
"density_atomic": 0.05996463525451443,
"volume": 867.1777920317656,
"volume_molar": 10.042820629925574,
"formula_full": "Ga32 Cu12 Mo8",
"formula_reduced": "Ga8Cu3Mo2",
"formula_anonymous": "A2B3C8",
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"updated_at": "2021-11-28T01:37:58.265000Z",
"spacegroup": 220
},
{
"id": "mp-862842",
"created_at": "2022-09-04T14:47:20.141605Z",
"structure_string": "Li1 Pm2 Pt1\n1.0\n0.000000 3.620317 3.620317\n3.620317 0.000000 3.620317\n3.620317 3.620317 0.000000\nLi Pm Pt\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Pm-Pt",
"density": 8.609272869575799,
"density_atomic": 0.04214928353620368,
"volume": 94.90078275148478,
"volume_molar": 14.287646799090536,
"formula_full": "Li1 Pm2 Pt1",
"formula_reduced": "LiPm2Pt",
"formula_anonymous": "ABC2",
"energy": -19.663836,
"energy_per_atom": -4.915959,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -19.663836,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 6.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.846000Z",
"spacegroup": 225
},
{
"id": "mp-866297",
"created_at": "2022-09-04T14:47:23.036821Z",
"structure_string": "Eu1 Cd1 Au2\n1.0\n0.000000 3.586368 3.586368\n3.586368 0.000000 3.586368\n3.586368 3.586368 0.000000\nEu Cd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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"nelements": 3,
"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-Eu",
"density": 11.849056579669414,
"density_atomic": 0.04335762084753855,
"volume": 92.25598457225043,
"volume_molar": 13.889463126162013,
"formula_full": "Eu1 Cd1 Au2",
"formula_reduced": "EuCdAu2",
"formula_anonymous": "ABC2",
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"total_magnetization": 6.9093904,
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"updated_at": "2021-11-28T01:38:06.574000Z",
"spacegroup": 225
}
]
}