Ba3CeCdOsO8
Alexandria ALEXAlex-ID: agm010983288 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E8_2_spg38
Ba11(OsO6)4 BaCdO2 BaCeO3 CdO Os
2024-07-12 21:15:39.805629
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010983288).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm010983288
data_agm010983288
_cell_length_a 7.24638
_cell_length_b 7.24638
_cell_length_c 5.82244
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 130.66453
_cell_volume 231.91287
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1 Ba 0.85421 0.14579 0.50000 1.00000
Ba2 Ba 0.35481 0.64519 0.00000 1.00000
Ba3 Ba 0.64792 0.35208 0.00000 1.00000
Ce1 Ce 0.13140 0.86860 0.50000 1.00000
Cd1 Cd 0.49805 0.50195 0.50000 1.00000
Os1 Os 0.00490 0.99510 0.00000 1.00000
O1 O 0.23458 0.21726 0.24640 1.00000
O2 O 0.78274 0.76542 0.75360 1.00000
O3 O 0.23458 0.21726 0.75360 1.00000
O4 O 0.78274 0.76542 0.24640 1.00000
O5 O 0.15938 0.84062 0.00000 1.00000
O6 O 0.66832 0.33168 0.50000 1.00000
O7 O 0.29480 0.70520 0.50000 1.00000
O8 O 0.85156 0.14844 0.00000 1.00000
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