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{
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"created_at": "2022-09-04T14:37:15.207890Z",
"updated_at": "2022-09-04T14:37:15.207916Z",
"structure_string": "Zn4 W6 O16\n1.0\n2.910013 -5.040291 -0.000000\n2.910013 5.040291 -0.000000\n-0.000000 -0.000000 10.572242\nZn W O\n4 6 16\ndirect\n0.666666 0.333332 0.963492 Zn\n0.333332 0.666666 0.463493 Zn\n0.666666 0.333332 0.574163 Zn\n0.333332 0.666666 0.074164 Zn\n0.182551 0.365103 0.757442 W\n0.817448 0.182551 0.257442 W\n0.365103 0.182551 0.257442 W\n0.817447 0.634896 0.257442 W\n0.634896 0.817447 0.757442 W\n0.182551 0.817448 0.757442 W\n0.485324 0.514675 0.628657 O\n0.970649 0.485324 0.128657 O\n0.333332 0.666666 0.893735 O\n0.000000 0.000000 0.162040 O\n0.000000 0.000000 0.662040 O\n0.514675 0.485324 0.128657 O\n0.029350 0.514675 0.628657 O\n0.166788 0.833211 0.351590 O\n0.166788 0.333575 0.351590 O\n0.333575 0.166788 0.851590 O\n0.833211 0.166788 0.851590 O\n0.485324 0.970649 0.628657 O\n0.666423 0.833211 0.351590 O\n0.833211 0.666423 0.851590 O\n0.514675 0.029350 0.128657 O\n0.666666 0.333332 0.393735 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Zn",
"W",
"O"
],
"chemical_system": "O-W-Zn",
"density": 8.677509430251996,
"density_atomic": 0.08383506714181657,
"volume": 310.1327509646773,
"volume_molar": 7.183319540751203,
"formula_full": "Zn4 W6 O16",
"formula_reduced": "Zn2W3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.622359138461539,
"spacegroup": 186
},
{
"id": "jvasp-119524",
"created_at": "2022-09-04T14:38:51.049017Z",
"updated_at": "2022-09-04T14:38:51.049041Z",
"structure_string": "Ba4 Y2 Mn6 O14\n1.0\n5.549571 0.000135 -0.095787\n2.843000 11.535273 2.726322\n0.136759 0.000131 5.548713\nBa Y Mn O\n4 2 6 14\ndirect\n0.587461 0.825078 0.087465 Ba\n0.087464 0.825078 0.587462 Ba\n0.912539 0.174914 0.412542 Ba\n0.412544 0.174914 0.912538 Ba\n0.749999 0.499998 0.250001 Y\n0.250003 0.499998 0.749998 Y\n0.325522 0.348941 0.325520 Mn\n0.674481 0.651051 0.674481 Mn\n0.173049 0.653907 0.173050 Mn\n0.826945 0.346105 0.826942 Mn\n0.500001 -0.000002 0.500001 Mn\n0.000001 -0.000001 0.000002 Mn\n0.584030 0.831958 0.584031 O\n0.083019 0.833954 0.083021 O\n0.061846 0.377050 0.561086 O\n0.561089 0.377050 0.061844 O\n0.438911 0.622957 0.938145 O\n0.938145 0.622957 0.438912 O\n0.750133 -0.000004 0.249873 O\n0.561562 0.375754 0.561560 O\n0.438431 0.624256 0.438431 O\n0.937326 0.624256 0.937326 O\n0.249872 -0.000005 0.750134 O\n0.916984 0.166045 0.916982 O\n0.062670 0.375755 0.062667 O\n0.415973 0.168032 0.415972 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Y",
"density": 5.984814111629465,
"density_atomic": 0.07316680458254095,
"volume": 355.35240534754905,
"volume_molar": 8.230700786182759,
"formula_full": "Ba4 Y2 Mn6 O14",
"formula_reduced": "Ba2YMn3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.831284893395225,
"spacegroup": 47
}
]
}