B5C7
Alexandria ALEXAlex-ID: agm006149161 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_181_spg8
B4C C
2023-08-18 10:50:27.919547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149161).
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 agm006149161
data_agm006149161
_cell_length_a 4.65991
_cell_length_b 4.60169
_cell_length_c 4.49520
_cell_angle_alpha 102.40775
_cell_angle_beta 95.48452
_cell_angle_gamma 120.37242
_cell_volume 78.79953
_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
B1 B 0.18048 0.83054 0.50950 1.00000
B2 B 0.00229 0.69125 0.06219 1.00000
B3 B 0.50729 0.49633 0.50763 1.00000
B4 B 0.37074 0.66993 0.01707 1.00000
B5 B 0.83431 0.17281 0.49349 1.00000
C1 C 0.36992 0.35807 0.12979 1.00000
C2 C 0.18793 0.55345 0.65940 1.00000
C3 C 0.72464 0.05799 0.11870 1.00000
C4 C 0.64131 0.30813 0.99642 1.00000
C5 C 0.55221 0.21630 0.64380 1.00000
C6 C 0.99688 0.01790 0.98519 1.00000
C7 C 0.88199 0.87729 0.62682 1.00000
Get direct link