AcB3OsRu
Alexandria ALEXAlex-ID: agm005028643 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_69_spg63
Ac(BOs)4 Ac(BOs)2 AcB6 Ac(BRu)2
2022-07-05 11:18:18.029953
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005028643).
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 agm005028643
data_agm005028643
_cell_length_a 5.85816
_cell_length_b 5.83639
_cell_length_c 6.03191
_cell_angle_alpha 118.93343
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 180.49266
_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
Ac1 Ac 0.75000 0.25033 0.50065 1.00000
Ac2 Ac 0.25000 0.74967 0.49935 1.00000
B1 B 0.25000 0.25063 0.50126 1.00000
B2 B 0.00000 0.24990 1.00000 1.00000
B3 B 0.50000 0.75010 0.00000 1.00000
B4 B 0.50000 0.24990 1.00000 1.00000
B5 B 0.00000 0.75010 0.00000 1.00000
B6 B 0.75000 0.74937 0.49874 1.00000
Os1 Os 0.25000 0.06334 0.12668 1.00000
Os2 Os 0.75000 0.93666 0.87332 1.00000
Ru1 Ru 0.25000 0.43908 0.87817 1.00000
Ru2 Ru 0.75000 0.56092 0.12183 1.00000
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