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{
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{
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{
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{
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{
"id": "mp-705516",
"created_at": "2022-09-04T14:43:54.889283Z",
"structure_string": "Li20 Sn2 P4 Se24\n1.0\n9.322181 0.000000 0.000000\n0.000000 9.322181 0.000000\n0.000000 0.000000 13.522141\nLi Sn P Se\n20 2 4 24\ndirect\n0.227330 0.272895 0.294303 Li\n0.772670 0.727105 0.294303 Li\n0.272895 0.772670 0.794303 Li\n0.727105 0.227330 0.794303 Li\n0.227330 0.727105 0.294303 Li\n0.772670 0.272895 0.294303 Li\n0.272895 0.227330 0.794303 Li\n0.727105 0.772670 0.794303 Li\n0.000000 0.000000 0.941597 Li\n0.000000 0.000000 0.441597 Li\n0.500000 0.500000 0.547482 Li\n0.500000 0.500000 0.047482 Li\n0.257355 0.726157 0.036648 Li\n0.742645 0.273843 0.036648 Li\n0.273843 0.257355 0.536648 Li\n0.726157 0.742645 0.536648 Li\n0.273843 0.742645 0.536648 Li\n0.726157 0.257355 0.536648 Li\n0.257355 0.273843 0.036648 Li\n0.742645 0.726157 0.036648 Li\n0.500000 0.500000 0.801580 Sn\n0.500000 0.500000 0.301580 Sn\n0.000000 0.000000 0.685150 P\n0.000000 0.000000 0.185150 P\n0.000000 0.500000 0.503405 P\n0.500000 0.000000 0.003405 P\n0.000000 0.698935 0.410280 Se\n0.000000 0.301065 0.410280 Se\n0.301065 0.000000 0.910280 Se\n0.698935 0.000000 0.910280 Se\n0.500000 0.193498 0.099620 Se\n0.500000 0.806502 0.099620 Se\n0.193498 0.500000 0.599620 Se\n0.806502 0.500000 0.599620 Se\n0.000000 0.800433 0.092732 Se\n0.000000 0.199567 0.092732 Se\n0.199567 0.000000 0.592732 Se\n0.800433 0.000000 0.592732 Se\n0.500000 0.272929 0.408448 Se\n0.500000 0.727071 0.408448 Se\n0.272929 0.500000 0.908448 Se\n0.727071 0.500000 0.908448 Se\n0.000000 0.195525 0.778957 Se\n0.000000 0.804475 0.778957 Se\n0.804475 0.000000 0.278957 Se\n0.195525 0.000000 0.278957 Se\n0.500000 0.722705 0.692056 Se\n0.500000 0.277295 0.692056 Se\n0.722705 0.500000 0.192056 Se\n0.277295 0.500000 0.192056 Se\n",
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{
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{
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{
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{
"id": "mp-30959",
"created_at": "2022-09-04T14:45:00.018757Z",
"structure_string": "Li8 H8 S8\n1.0\n7.889857 0.000000 0.000000\n0.000000 7.889857 0.000000\n0.000000 0.000000 6.188845\nLi H S\n8 8 8\ndirect\n0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.750000 Li\n0.000000 0.500000 0.250000 Li\n0.000000 0.000000 0.250000 Li\n0.500000 0.500000 0.250000 Li\n0.500000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.251136 0.813240 0.000000 H\n0.748864 0.186760 0.000000 H\n0.186760 0.251136 0.500000 H\n0.751136 0.686760 0.000000 H\n0.686760 0.248864 0.500000 H\n0.313240 0.751136 0.500000 H\n0.248864 0.313240 0.000000 H\n0.813240 0.748864 0.500000 H\n0.249830 0.984529 0.000000 S\n0.750170 0.015471 0.000000 S\n0.015471 0.249830 0.500000 S\n0.984529 0.750170 0.500000 S\n0.484529 0.749830 0.500000 S\n0.749830 0.515471 0.000000 S\n0.250170 0.484529 0.000000 S\n0.515471 0.250170 0.500000 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"H",
"S"
],
"chemical_system": "H-Li-S",
"density": 1.379756762627786,
"density_atomic": 0.06229646049835041,
"volume": 385.2546325747594,
"volume_molar": 9.66690677419701,
"formula_full": "Li8 H8 S8",
"formula_reduced": "LiHS",
"formula_anonymous": "ABC",
"energy": -97.95668398,
"energy_per_atom": -4.081528499166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.93268398,
"band_gap": 3.5474,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.903000Z",
"spacegroup": 135
}
]
}