CuBi2OsO8
Alexandria ALEXAlex-ID: agm004900645 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_362_spg2
Cu(BiO2)2 OsO4
2023-01-06 07:52:10.919753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900645).
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 agm004900645
data_agm004900645
_cell_length_a 4.66041
_cell_length_b 5.07566
_cell_length_c 6.94399
_cell_angle_alpha 83.45524
_cell_angle_beta 93.40657
_cell_angle_gamma 94.68368
_cell_volume 162.43398
_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
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.43342 0.50799 0.74410 1.00000
Bi2 Bi 0.56658 0.49201 0.25590 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
O1 O 0.14505 0.70851 0.16049 1.00000
O2 O 0.65753 0.78811 0.96790 1.00000
O3 O 0.86745 0.11128 0.23341 1.00000
O4 O 0.85495 0.29149 0.83951 1.00000
O5 O 0.34247 0.21189 0.03210 1.00000
O6 O 0.13255 0.88872 0.76659 1.00000
O7 O 0.69998 0.72587 0.51198 1.00000
O8 O 0.30002 0.27413 0.48802 1.00000
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