AcCoB3Os
Alexandria ALEXAlex-ID: agm005028720 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_391_spg63
CoB Ac(BOs)2 Ac(CoB)2 AcB6
2022-07-25 14:31:36.409190
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005028720).
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 agm005028720
data_agm005028720
_cell_length_a 5.94014
_cell_length_b 5.33591
_cell_length_c 5.84787
_cell_angle_alpha 62.78552
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00003
_cell_volume 164.83572
_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 0.25000 0.23882 0.52179 1.00000
Ac2 Ac 0.75000 0.76118 0.47821 1.00000
Co1 Co 0.75000 0.09008 0.82127 1.00000
Co2 Co 0.25000 0.90992 0.17873 1.00000
B1 B 0.50034 0.81889 0.00038 1.00000
B2 B 0.00034 0.18110 0.99962 1.00000
B3 B 0.75000 0.27411 0.45222 1.00000
B4 B 0.49966 0.18111 0.99962 1.00000
B5 B 0.99966 0.81890 0.00038 1.00000
B6 B 0.25000 0.72589 0.54778 1.00000
Os1 Os 0.25000 0.53743 0.92461 1.00000
Os2 Os 0.75000 0.46257 0.07539 1.00000
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