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"created_at": "2022-09-04T14:36:51.300532Z",
"updated_at": "2022-09-04T14:36:51.300562Z",
"structure_string": "Ba3 B3 As3 O15\n1.0\n3.686674 -6.385508 0.000000\n3.686674 6.385508 -0.000000\n0.000000 -0.000000 7.179174\nBa B As O\n3 3 3 15\ndirect\n0.333337 0.058058 0.836240 Ba\n0.724721 0.666662 0.502907 Ba\n0.941941 0.275278 0.169574 Ba\n0.333270 0.569865 0.836271 B\n0.236594 0.666729 0.502939 B\n0.430134 0.763405 0.169605 B\n0.936519 0.269974 0.669559 As\n0.333456 0.063480 0.336226 As\n0.730024 0.666543 0.002893 As\n0.511513 0.521521 0.857445 O\n0.897597 0.080202 0.517885 O\n0.182606 0.102403 0.184552 O\n0.919796 0.817393 0.851219 O\n0.155104 0.343260 0.814861 O\n0.188155 0.844895 0.481528 O\n0.306490 0.666460 0.003041 O\n0.768549 0.515528 0.154694 O\n0.484471 0.253021 0.488028 O\n0.746978 0.231450 0.821361 O\n0.478478 0.989993 0.190778 O\n0.359969 0.693509 0.669708 O\n0.333539 0.640029 0.336374 O\n0.656739 0.811843 0.148194 O\n0.010006 0.488486 0.524112 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"B",
"As",
"O"
],
"chemical_system": "As-B-Ba-O",
"density": 4.466418711490021,
"density_atomic": 0.07100298012446758,
"volume": 338.0139813558278,
"volume_molar": 8.481532394053378,
"formula_full": "Ba3 B3 As3 O15",
"formula_reduced": "BaBAsO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4181809754166665,
"spacegroup": 152
},
{
"id": "jvasp-9511",
"created_at": "2022-09-04T14:37:09.123380Z",
"updated_at": "2022-09-04T14:37:09.123408Z",
"structure_string": "Mg2 Mn2 Si2 O10\n1.0\n5.044609 -0.288418 0.110981\n-1.483172 5.169285 -0.047282\n-1.486825 -2.257822 6.219795\nMg Mn Si O\n2 2 2 10\ndirect\n0.356522 0.217855 0.771505 Mg\n0.642545 0.783083 0.241251 Mg\n-0.000481 0.500490 0.506472 Mn\n-0.000464 0.500483 0.006466 Mn\n0.693223 0.822481 0.748228 Si\n0.305834 0.178517 0.264696 Si\n0.699687 0.636157 0.909889 O\n0.983671 0.855418 0.661815 O\n0.299371 0.364850 0.103046 O\n0.015378 0.145560 0.351114 O\n0.593432 0.294640 0.477032 O\n0.300476 0.872673 0.126214 O\n0.405586 0.706356 0.535930 O\n0.698584 0.128327 0.886713 O\n0.888292 0.558942 0.255056 O\n0.110756 0.442015 0.757872 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.883440152341981,
"density_atomic": 0.09987585297465404,
"volume": 160.19888214682277,
"volume_molar": 6.029626361767611,
"formula_full": "Mg2 Mn2 Si2 O10",
"formula_reduced": "MgMnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.389649048922413,
"spacegroup": 2
}
]
}