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{
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{
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{
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"formula_anonymous": "ABC2",
"energy_above_hull": 2.1487218499999994,
"spacegroup": 194
},
{
"id": "jvasp-55449",
"created_at": "2022-09-04T14:38:33.734038Z",
"updated_at": "2022-09-04T14:38:33.734054Z",
"structure_string": "Ba4 Na2 Ni6 O12\n1.0\n6.686668 -0.000935 -2.080712\n-2.801098 6.071687 -2.080712\n0.017086 0.026695 8.377663\nBa Na Ni O\n4 2 6 12\ndirect\n0.770936 0.229064 0.000001 Ba\n0.750000 0.249999 0.500000 Ba\n0.250000 0.750001 0.500000 Ba\n0.229063 0.770936 0.000000 Ba\n0.330311 0.330311 0.660622 Na\n0.669690 0.669687 0.339377 Na\n0.694344 0.694343 0.000001 Ni\n0.305657 0.305657 0.000000 Ni\n0.006321 0.006319 0.712684 Ni\n0.293635 0.293635 0.287315 Ni\n0.706364 0.706363 0.712684 Ni\n0.993679 0.993679 0.287315 Ni\n0.499051 0.276808 0.189430 O\n0.702265 0.926484 0.628750 O\n0.297735 0.073516 0.371250 O\n0.309621 0.087378 0.810569 O\n0.276810 0.499052 0.189431 O\n0.912621 0.690379 0.189431 O\n0.500949 0.723190 0.810570 O\n0.690379 0.912620 0.189430 O\n0.723191 0.500948 0.810571 O\n0.087380 0.309621 0.810570 O\n0.926484 0.702264 0.628749 O\n0.073516 0.297736 0.371250 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ni",
"O"
],
"chemical_system": "Ba-Na-Ni-O",
"density": 5.551102590148169,
"density_atomic": 0.07041248230223443,
"volume": 340.8486565916509,
"volume_molar": 8.552660782715932,
"formula_full": "Ba4 Na2 Ni6 O12",
"formula_reduced": "Ba2Na(NiO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.5114924283333333,
"spacegroup": 69
}
]
}