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"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.8289769916666665,
"spacegroup": 136
},
{
"id": "jvasp-43624",
"created_at": "2022-09-04T14:35:49.082059Z",
"updated_at": "2022-09-04T14:35:49.082075Z",
"structure_string": "Rb16 O8\n1.0\n6.688122 0.000000 0.000000\n-0.000000 6.945517 0.000000\n0.000000 0.000000 13.358731\nRb O\n16 8\ndirect\n-0.000918 0.261563 0.023274 Rb\n0.000918 0.738438 0.976726 Rb\n0.500917 0.761563 0.976726 Rb\n0.173329 0.102523 0.801839 Rb\n0.673329 0.397477 0.801839 Rb\n0.673329 0.897477 0.698161 Rb\n0.000918 0.238438 0.523274 Rb\n0.500917 0.261563 0.523274 Rb\n0.173329 0.602524 0.698161 Rb\n-0.000918 0.761563 0.476726 Rb\n0.826671 0.397477 0.301839 Rb\n0.326671 0.102523 0.301839 Rb\n0.326671 0.602524 0.198161 Rb\n0.826671 0.897477 0.198161 Rb\n0.499082 0.238438 0.023274 Rb\n0.499082 0.738438 0.476726 Rb\n0.268546 0.465812 0.885406 O\n0.231453 0.965812 0.114594 O\n0.731453 0.534188 0.114594 O\n0.731453 0.034188 0.385406 O\n0.231453 0.465812 0.385406 O\n0.268546 0.965812 0.614594 O\n0.768546 0.534188 0.614594 O\n0.768546 0.034188 0.885406 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Rb",
"density": 4.001803289097525,
"density_atomic": 0.038675618866083686,
"volume": 620.5459848774814,
"volume_molar": 15.570896954104269,
"formula_full": "Rb16 O8",
"formula_reduced": "Rb2O",
"formula_anonymous": "AB2",
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"spacegroup": 61
},
{
"id": "jvasp-97755",
"created_at": "2022-09-04T14:35:57.356603Z",
"updated_at": "2022-09-04T14:35:57.356627Z",
"structure_string": "Ce8 Si8 O28\n1.0\n5.444812 0.000000 -0.016665\n0.000000 8.726731 0.000000\n0.005943 0.000000 13.065014\nCe Si O\n8 8 28\ndirect\n0.740107 0.897134 0.090150 Ce\n0.248442 0.694742 0.269904 Ce\n0.240107 0.602866 0.590150 Ce\n0.751557 0.305257 0.730095 Ce\n0.259892 0.102866 0.909849 Ce\n0.759892 0.397134 0.409849 Ce\n0.251558 0.194743 0.230096 Ce\n0.748442 0.805257 0.769904 Ce\n0.729428 0.249572 0.024130 Si\n0.228831 0.500492 0.822433 Si\n0.728831 0.999508 0.322433 Si\n0.770572 0.749572 0.475869 Si\n0.271168 0.000492 0.677566 Si\n0.229427 0.250428 0.524130 Si\n0.771168 0.499508 0.177566 Si\n0.270572 0.750428 0.975869 Si\n0.477442 0.523609 0.752423 O\n0.983368 0.157385 0.053950 O\n0.483368 0.342615 0.553950 O\n0.767246 0.927644 0.437213 O\n0.839304 0.739525 0.596545 O\n0.645761 0.178052 0.328028 O\n0.732754 0.427644 0.062787 O\n0.160696 0.260475 0.403454 O\n0.354238 0.821948 0.671971 O\n0.502818 0.917775 0.260047 O\n0.522557 0.476391 0.247576 O\n0.145761 0.321948 0.828028 O\n0.493068 0.852302 0.920848 O\n0.497181 0.082225 0.739953 O\n0.854239 0.678052 0.171971 O\n0.660695 0.239525 0.903454 O\n0.997182 0.417775 0.239953 O\n0.267246 0.572356 0.937213 O\n0.977442 0.976391 0.252423 O\n0.506931 0.147698 0.079152 O\n0.016631 0.842615 0.946050 O\n0.339304 0.760475 0.096546 O\n0.993068 0.647698 0.420848 O\n0.006931 0.352302 0.579152 O\n0.002818 0.582225 0.760047 O\n0.232753 0.072356 0.562787 O\n0.516631 0.657385 0.446050 O\n0.022557 0.023609 0.747576 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Ce-O-Si",
"density": 4.79765007047309,
"density_atomic": 0.07087738962895775,
"volume": 620.7903568449608,
"volume_molar": 8.496561162206781,
"formula_full": "Ce8 Si8 O28",
"formula_reduced": "Ce2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.7242738818181813,
"spacegroup": 14
}
]
}