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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
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"elements": [
"Li",
"Dy",
"S",
"O"
],
"chemical_system": "Dy-Li-O-S",
"density": 3.6624807404558237,
"density_atomic": 0.07320144822420703,
"volume": 327.8623658713821,
"volume_molar": 8.226805488267011,
"formula_full": "Li2 Dy2 S4 O16",
"formula_reduced": "LiDy(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.3912945416666664,
"spacegroup": 118
},
{
"id": "jvasp-11485",
"created_at": "2022-09-04T14:38:34.242797Z",
"updated_at": "2022-09-04T14:38:34.242806Z",
"structure_string": "Na3 Mo1 O3 F3\n1.0\n4.937018 0.004096 3.148950\n1.728539 4.624535 3.148950\n0.005899 0.004096 5.855767\nNa Mo O F\n3 1 3 3\ndirect\n0.773065 0.773066 0.773063 Na\n0.490206 0.490206 0.490205 Na\n0.271018 0.271018 0.271019 Na\n-0.000217 -0.000217 -0.000217 Mo\n0.310624 0.746984 0.093993 O\n0.093993 0.310624 0.746983 O\n0.746983 0.093993 0.310625 O\n0.641024 0.176598 0.870909 F\n0.176597 0.870909 0.641023 F\n0.870909 0.641023 0.176597 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Mo",
"O",
"F"
],
"chemical_system": "F-Mo-Na-O",
"density": 3.3565107148264293,
"density_atomic": 0.07489135413618711,
"volume": 133.52676173828257,
"volume_molar": 8.0411695441492,
"formula_full": "Na3 Mo1 O3 F3",
"formula_reduced": "Na3Mo(OF)3",
"formula_anonymous": "AB3C3D3",
"energy_above_hull": 1.0144284247500002,
"spacegroup": 146
}
]
}