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{
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{
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"structure_string": "Ho1 Zn1 Si1\n1.0\n2.050893 -3.552252 0.000000\n2.050893 3.552252 0.000000\n0.000000 0.000000 4.025094\nHo Zn Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.500000 Zn\n0.333333 0.666667 0.500000 Si\n",
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{
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{
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{
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"id": "mp-568338",
"created_at": "2022-09-04T14:39:59.768270Z",
"structure_string": "Sr8 Ge4 N8\n1.0\n2.732280 -5.736211 0.000000\n2.732280 5.736211 0.000000\n0.000000 0.000000 12.266591\nSr Ge N\n8 4 8\ndirect\n0.144024 0.855976 0.941676 Sr\n0.547922 0.452078 0.142269 Sr\n0.047922 0.952078 0.357731 Sr\n0.452078 0.547922 0.857731 Sr\n0.355976 0.644024 0.441676 Sr\n0.952078 0.047922 0.642269 Sr\n0.855976 0.144024 0.058324 Sr\n0.644024 0.355976 0.558324 Sr\n0.260257 0.739743 0.679967 Ge\n0.739743 0.260257 0.320033 Ge\n0.760257 0.239743 0.820033 Ge\n0.239743 0.760257 0.179967 Ge\n0.339944 0.660056 0.059649 N\n0.921000 0.079000 0.858459 N\n0.839944 0.160056 0.440351 N\n0.421000 0.579000 0.641541 N\n0.660056 0.339944 0.940351 N\n0.160055 0.839944 0.559649 N\n0.579000 0.421000 0.358459 N\n0.079000 0.921000 0.141541 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"N"
],
"chemical_system": "Ge-N-Sr",
"density": 4.765913966637515,
"density_atomic": 0.05201466357487985,
"volume": 384.5069567970612,
"volume_molar": 11.577775085155707,
"formula_full": "Sr8 Ge4 N8",
"formula_reduced": "Sr2GeN2",
"formula_anonymous": "AB2C2",
"energy": -114.71381547,
"energy_per_atom": -5.7356907735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.82581547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.82e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.878000Z",
"spacegroup": 64
},
{
"id": "mp-1068891",
"created_at": "2022-09-04T14:39:59.769598Z",
"structure_string": "Sr1 Cu2 Sn2\n1.0\n2.163565 5.668656 0.000000\n-2.163565 5.668656 0.000000\n0.000000 1.475414 4.656283\nSr Cu Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.739303 0.739303 0.862774 Cu\n0.260697 0.260697 0.137226 Cu\n0.354742 0.354742 0.572905 Sn\n0.645258 0.645258 0.427095 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Sr",
"density": 6.573473695102056,
"density_atomic": 0.04377746309456322,
"volume": 114.21401896221246,
"volume_molar": 13.75625797911505,
"formula_full": "Sr1 Cu2 Sn2",
"formula_reduced": "Sr(CuSn)2",
"formula_anonymous": "AB2C2",
"energy": -19.63534377,
"energy_per_atom": -3.9270687539999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.63534377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.101000Z",
"spacegroup": 12
}
]
}