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"energy_uncorrected": -114.05487345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.118000Z",
"spacegroup": 62
},
{
"id": "mp-680813",
"created_at": "2022-09-04T14:47:07.597143Z",
"structure_string": "Sr4 In24 Cu28\n1.0\n6.387957 -6.391901 0.000000\n6.387957 6.391901 0.000000\n0.000000 0.000000 12.749604\nSr In Cu\n4 24 28\ndirect\n0.752061 0.247939 0.500000 Sr\n0.247939 0.752061 0.500000 Sr\n0.247939 0.752061 0.000000 Sr\n0.752061 0.247939 0.000000 Sr\n0.386173 0.111694 0.435749 In\n0.111694 0.386173 0.435749 In\n0.111694 0.386173 0.064251 In\n0.613036 0.613036 0.431927 In\n0.782449 0.052898 0.250000 In\n0.888306 0.613827 0.935749 In\n0.593305 0.314319 0.750000 In\n0.613827 0.888306 0.564251 In\n0.685682 0.406695 0.250000 In\n0.613036 0.613036 0.068073 In\n0.938315 0.938315 0.884657 In\n0.061685 0.061685 0.384657 In\n0.386173 0.111694 0.064251 In\n0.613827 0.888306 0.935749 In\n0.947102 0.217551 0.750000 In\n0.386964 0.386964 0.931927 In\n0.052898 0.782449 0.250000 In\n0.217551 0.947102 0.750000 In\n0.386964 0.386964 0.568073 In\n0.314318 0.593305 0.750000 In\n0.938315 0.938315 0.615343 In\n0.061685 0.061685 0.115343 In\n0.888306 0.613827 0.564251 In\n0.406695 0.685681 0.250000 In\n0.588610 0.588610 0.854489 Cu\n0.038220 0.696410 0.750000 Cu\n0.906293 0.563431 0.354006 Cu\n0.760967 0.760967 0.750000 Cu\n0.906293 0.563431 0.145994 Cu\n0.740427 0.740427 0.250000 Cu\n0.850969 0.850969 0.081122 Cu\n0.411390 0.411390 0.354489 Cu\n0.850969 0.850969 0.418878 Cu\n0.169307 0.512208 0.250000 Cu\n0.830693 0.487792 0.750000 Cu\n0.436569 0.093707 0.645994 Cu\n0.563431 0.906293 0.354006 Cu\n0.696410 0.038220 0.750000 Cu\n0.303590 0.961780 0.250000 Cu\n0.563431 0.906293 0.145994 Cu\n0.093707 0.436569 0.645994 Cu\n0.239033 0.239033 0.250000 Cu\n0.436569 0.093707 0.854006 Cu\n0.487792 0.830693 0.750000 Cu\n0.093707 0.436569 0.854006 Cu\n0.961780 0.303590 0.250000 Cu\n0.411390 0.411390 0.145511 Cu\n0.512208 0.169307 0.250000 Cu\n0.588610 0.588610 0.645511 Cu\n0.149031 0.149031 0.918878 Cu\n0.149031 0.149031 0.581122 Cu\n0.259573 0.259573 0.750000 Cu\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sr",
"In",
"Cu"
],
"chemical_system": "Cu-In-Sr",
"density": 7.791669272597089,
"density_atomic": 0.05378600792862542,
"volume": 1041.1629744730742,
"volume_molar": 11.196482118530607,
"formula_full": "Sr4 In24 Cu28",
"formula_reduced": "SrIn6Cu7",
"formula_anonymous": "AB6C7",
"energy": -194.18355204,
"energy_per_atom": -3.4675634292857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.18355204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044416,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.463000Z",
"spacegroup": 63
}
]
}