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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:47:55.263753Z",
"structure_string": "K4 Sm4 W8 O32\n1.0\n-5.261663 0.000000 0.000000\n0.000000 0.000000 -8.266620\n0.000000 -18.671894 0.000000\nK Sm W O\n4 4 8 32\ndirect\n0.000000 0.750000 0.230022 K\n0.000000 0.250000 0.769978 K\n0.500000 0.250000 0.269978 K\n0.500000 0.750000 0.730022 K\n0.000000 0.750000 0.993262 Sm\n0.000000 0.250000 0.006738 Sm\n0.500000 0.250000 0.506738 Sm\n0.500000 0.750000 0.493262 Sm\n0.977500 0.982890 0.600740 W\n0.022500 0.017110 0.399260 W\n0.522500 0.482890 0.899260 W\n0.022500 0.517110 0.600740 W\n0.477500 0.517110 0.100740 W\n0.977500 0.482890 0.399260 W\n0.477500 0.017110 0.899260 W\n0.522500 0.982890 0.100740 W\n0.898555 0.524321 0.689028 O\n0.101445 0.475679 0.310972 O\n0.601445 0.024321 0.810972 O\n0.101445 0.975679 0.689028 O\n0.398555 0.975679 0.189028 O\n0.898555 0.024321 0.310972 O\n0.398555 0.475679 0.810972 O\n0.601445 0.524321 0.189028 O\n0.727208 0.660055 0.900990 O\n0.272792 0.339945 0.099010 O\n0.772792 0.160055 0.599010 O\n0.272792 0.839945 0.900990 O\n0.227208 0.839945 0.400990 O\n0.727208 0.160055 0.099010 O\n0.227208 0.339945 0.599010 O\n0.772792 0.660055 0.400990 O\n0.746485 0.995966 0.965300 O\n0.253515 0.004034 0.034700 O\n0.753515 0.495966 0.534700 O\n0.253515 0.504034 0.965300 O\n0.246485 0.504034 0.465300 O\n0.746485 0.495966 0.034700 O\n0.246485 0.004034 0.534700 O\n0.753515 0.995966 0.465300 O\n0.758166 0.810115 0.592656 O\n0.241834 0.189885 0.407344 O\n0.741834 0.310115 0.907344 O\n0.241834 0.689885 0.592656 O\n0.258166 0.689885 0.092656 O\n0.758166 0.310115 0.407344 O\n0.258166 0.189885 0.907344 O\n0.741834 0.810115 0.092656 O\n",
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{
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"chemical_system": "F-Na-Sn",
"density": 3.38522616089493,
"density_atomic": 0.0658378081962785,
"volume": 273.39913786828424,
"volume_molar": 9.14693384391919,
"formula_full": "Na4 Sn2 F12",
"formula_reduced": "Na2SnF6",
"formula_anonymous": "AB2C6",
"energy": -90.16011091,
"energy_per_atom": -5.008895050555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.61611091,
"band_gap": 4.9677,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.418000Z",
"spacegroup": 136
}
]
}