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{
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{
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{
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"structure_string": "Cs12 Sb4 S16\n1.0\n10.150372 0.000000 0.000000\n0.000000 10.241206 0.000000\n0.000000 0.000000 11.947654\nCs Sb S\n12 4 16\ndirect\n0.848397 0.913316 0.750000 Cs\n0.348397 0.586684 0.750000 Cs\n0.151603 0.086684 0.250000 Cs\n0.651603 0.413316 0.250000 Cs\n0.045758 0.294617 0.542422 Cs\n0.545758 0.205383 0.957578 Cs\n0.954242 0.705383 0.042422 Cs\n0.454242 0.794617 0.457578 Cs\n0.954242 0.705383 0.457578 Cs\n0.454242 0.794617 0.042422 Cs\n0.045758 0.294617 0.957578 Cs\n0.545758 0.205383 0.542422 Cs\n0.774942 0.480695 0.750000 Sb\n0.274942 0.019305 0.750000 Sb\n0.225058 0.519305 0.250000 Sb\n0.725058 0.980695 0.250000 Sb\n0.796153 0.250426 0.750000 S\n0.296153 0.249574 0.750000 S\n0.203847 0.749574 0.250000 S\n0.703847 0.750426 0.250000 S\n0.988668 0.575575 0.750000 S\n0.488668 0.924425 0.750000 S\n0.011332 0.424425 0.250000 S\n0.511332 0.075575 0.250000 S\n0.836927 0.044990 0.414805 S\n0.336927 0.455010 0.085195 S\n0.163073 0.955010 0.914805 S\n0.663073 0.544990 0.585195 S\n0.163073 0.955010 0.585195 S\n0.663073 0.544990 0.914805 S\n0.836927 0.044990 0.085195 S\n0.336927 0.455010 0.414805 S\n",
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"elements": [
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],
"chemical_system": "Cs-S-Sb",
"density": 3.46945794513841,
"density_atomic": 0.02576524522501859,
"volume": 1241.9831335013778,
"volume_molar": 23.3731164109099,
"formula_full": "Cs12 Sb4 S16",
"formula_reduced": "Cs3SbS4",
"formula_anonymous": "AB3C4",
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"updated_at": "2021-11-28T01:37:49.021000Z",
"spacegroup": 62
},
{
"id": "mp-571093",
"created_at": "2022-09-04T14:40:39.648368Z",
"structure_string": "Ba1 Al1 Si1 H1\n1.0\n2.167114 -3.753551 0.000000\n2.167114 3.753551 0.000000\n0.000000 0.000000 5.262552\nBa Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.999564 Ba\n0.666667 0.333333 0.534752 Al\n0.333333 0.666667 0.457693 Si\n0.666667 0.333333 0.865090 H\n",
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"elements": [
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],
"chemical_system": "Al-Ba-H-Si",
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"density_atomic": 0.046720718891238376,
"volume": 85.61512097687623,
"volume_molar": 12.889657742679432,
"formula_full": "Ba1 Al1 Si1 H1",
"formula_reduced": "BaAlSiH",
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"energy_uncorrected": -16.21633537,
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"updated_at": "2021-11-28T01:35:05.449000Z",
"spacegroup": 156
},
{
"id": "mp-6983",
"created_at": "2022-09-04T14:44:09.817110Z",
"structure_string": "Na4 Ag4 O4\n1.0\n-4.799214 4.799214 2.344820\n4.799214 -4.799214 2.344820\n4.799214 4.799214 -2.344820\nNa Ag O\n4 4 4\ndirect\n0.839754 0.500000 0.339754 Na\n0.500000 0.160246 0.660246 Na\n0.500000 0.839754 0.339754 Na\n0.160246 0.500000 0.660246 Na\n0.842683 0.842683 0.685367 Ag\n0.842683 0.157317 0.000000 Ag\n0.157317 0.842683 0.000000 Ag\n0.157317 0.157317 0.314633 Ag\n0.308904 0.000000 0.308904 O\n0.000000 0.691096 0.691096 O\n0.000000 0.308904 0.308904 O\n0.691096 0.000000 0.691096 O\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ag-Na-O",
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"density_atomic": 0.055548394776157875,
"volume": 216.02784469931368,
"volume_molar": 10.841250740489057,
"formula_full": "Na4 Ag4 O4",
"formula_reduced": "NaAgO",
"formula_anonymous": "ABC",
"energy": -48.97323883,
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"updated_at": "2021-11-28T01:36:30.335000Z",
"spacegroup": 139
}
]
}