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{
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{
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{
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{
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{
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"id": "mp-1203031",
"created_at": "2022-09-04T14:39:57.790153Z",
"structure_string": "Sn12 S28\n1.0\n6.640491 11.509641 0.000000\n-6.640491 11.509641 0.000000\n0.000000 5.010397 15.261215\nSn S\n12 28\ndirect\n0.767702 0.445335 0.232401 Sn\n0.445335 0.767702 0.732401 Sn\n0.503145 0.432175 0.235716 Sn\n0.432175 0.503145 0.735716 Sn\n0.192130 0.581364 0.255907 Sn\n0.581364 0.192130 0.755907 Sn\n0.781781 0.169433 0.232467 Sn\n0.169433 0.781781 0.732467 Sn\n0.925704 0.859742 0.255601 Sn\n0.859742 0.925704 0.755601 Sn\n0.913335 0.593052 0.256925 Sn\n0.593052 0.913335 0.756925 Sn\n0.661098 0.326163 0.340954 S\n0.326163 0.661098 0.840954 S\n0.105028 0.761118 0.322946 S\n0.761118 0.105028 0.822946 S\n0.780425 0.784127 0.308091 S\n0.784127 0.780425 0.808091 S\n0.099259 0.450766 0.312699 S\n0.450766 0.099259 0.812699 S\n0.907797 0.266219 0.168360 S\n0.266219 0.907797 0.668360 S\n0.342320 0.481716 0.360444 S\n0.481716 0.342320 0.860444 S\n0.808162 0.479743 0.360454 S\n0.479743 0.808162 0.860454 S\n0.595021 0.243093 0.180687 S\n0.243093 0.595021 0.680687 S\n0.035125 0.701445 0.149086 S\n0.701445 0.035125 0.649086 S\n0.588349 0.566237 0.163408 S\n0.566237 0.588349 0.663408 S\n0.812039 0.011356 0.359865 S\n0.011356 0.812039 0.859865 S\n0.905105 0.016849 0.129133 S\n0.016849 0.905105 0.629133 S\n0.860387 0.572037 0.130704 S\n0.572037 0.860387 0.630704 S\n0.351663 0.520653 0.131652 S\n0.520653 0.351663 0.631652 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 1.6530798171627512,
"density_atomic": 0.017146635462351616,
"volume": 2332.8191753902315,
"volume_molar": 35.121413604567756,
"formula_full": "Sn12 S28",
"formula_reduced": "Sn3S7",
"formula_anonymous": "A3B7",
"energy": -178.63618915,
"energy_per_atom": -4.46590472875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.55218915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0138721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.663000Z",
"spacegroup": 9
}
]
}