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{
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"structure_string": "Ba6 Zn10 In4 O22\n1.0\n8.257721 0.000000 4.767597\n2.752574 7.785454 4.767597\n0.000000 0.000000 9.535194\nBa Zn In O\n6 10 4 22\ndirect\n0.294113 0.294113 0.705887 Ba\n0.294113 0.705886 0.294114 Ba\n0.705887 0.294113 0.294114 Ba\n0.705887 0.705886 0.294114 Ba\n0.294113 0.705886 0.705887 Ba\n0.705887 0.294113 0.705887 Ba\n0.418502 0.081498 0.081498 Zn\n0.751112 0.082962 0.082963 Zn\n0.418502 0.081498 0.418502 Zn\n0.081498 0.418502 0.418502 Zn\n0.081498 0.418502 0.081498 Zn\n0.418502 0.418502 0.081498 Zn\n0.082962 0.082962 0.751112 Zn\n0.082962 0.751112 0.082963 Zn\n0.082962 0.082962 0.082963 Zn\n0.081498 0.081498 0.418502 Zn\n0.834878 0.834878 0.834879 In\n0.834878 0.834878 0.495364 In\n0.834879 0.495364 0.834879 In\n0.495363 0.834878 0.834879 In\n0.671330 0.333633 0.997518 O\n0.667825 0.996523 0.667826 O\n0.667825 0.667825 0.996524 O\n0.342390 0.342390 0.972830 O\n0.997518 0.997517 0.333634 O\n0.333633 0.671330 0.997518 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.997518 0.671330 0.997518 O\n0.997518 0.333633 0.997518 O\n0.342390 0.972830 0.342391 O\n0.972830 0.342390 0.342390 O\n0.997518 0.997517 0.671331 O\n0.667825 0.667825 0.667826 O\n0.671330 0.997517 0.997518 O\n0.333633 0.997517 0.997518 O\n0.333633 0.997517 0.671331 O\n0.342390 0.342390 0.342390 O\n0.997518 0.671330 0.333634 O\n0.671330 0.997517 0.333634 O\n0.997518 0.333633 0.671331 O\n0.996523 0.667825 0.667826 O\n",
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"structure_string": "Dy2 Fe4 Si2 C2\n1.0\n3.742703 0.000000 0.000000\n-1.871351 5.230198 -0.000000\n0.000000 0.000000 6.725924\nDy Fe Si C\n2 4 2 2\ndirect\n0.949228 0.898457 0.250000 Dy\n0.050772 0.101543 0.750000 Dy\n0.664924 0.329849 0.062073 Fe\n0.335076 0.670151 0.562073 Fe\n0.664924 0.329849 0.437927 Fe\n0.335076 0.670151 0.937926 Fe\n0.229325 0.458649 0.250000 Si\n0.770675 0.541351 0.750000 Si\n0.500000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Dy",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Dy-Fe-Si",
"density": 7.927731883529391,
"density_atomic": 0.07595293291059631,
"volume": 131.6604852082662,
"volume_molar": 7.92877974454077,
"formula_full": "Dy2 Fe4 Si2 C2",
"formula_reduced": "DyFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.59896922,
"spacegroup": 63
},
{
"id": "jvasp-105904",
"created_at": "2022-09-04T14:36:01.427278Z",
"updated_at": "2022-09-04T14:36:01.427296Z",
"structure_string": "Sr2 Dy1 U1 O6\n1.0\n5.317198 0.000000 3.069885\n1.772399 5.013102 3.069885\n0.000000 0.000000 6.139772\nSr Dy U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Dy\n0.000000 0.000000 0.000000 U\n0.754397 0.245603 0.245603 O\n0.245604 0.754396 0.754397 O\n0.245604 0.754397 0.245604 O\n0.754398 0.245603 0.754397 O\n0.245604 0.245603 0.754397 O\n0.754398 0.754397 0.245603 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"U",
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],
"chemical_system": "Dy-O-Sr-U",
"density": 6.815928919914051,
"density_atomic": 0.06110241593163239,
"volume": 163.6596499095718,
"volume_molar": 9.855814484877627,
"formula_full": "Sr2 Dy1 U1 O6",
"formula_reduced": "Sr2DyUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.140342612,
"spacegroup": 225
}
]
}