BC2
Alexandria ALEXAlex-ID: agm006149147 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3632_spg8
B4C C
2023-08-18 16:04:42.667749
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149147).
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 agm006149147
data_agm006149147
_cell_length_a 4.66025
_cell_length_b 4.55306
_cell_length_c 4.36317
_cell_angle_alpha 102.63290
_cell_angle_beta 94.30976
_cell_angle_gamma 120.75375
_cell_volume 75.67972
_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 0.03164 0.69936 0.09390 1.00000
B2 B 0.51003 0.50897 0.53110 1.00000
B3 B 0.38785 0.65669 0.98867 1.00000
B4 B 0.15382 0.55165 0.63633 1.00000
C1 C 0.16084 0.84722 0.48605 1.00000
C2 C 0.38083 0.36111 0.13895 1.00000
C3 C 0.80791 0.15278 0.49314 1.00000
C4 C 0.73376 0.05555 0.13186 1.00000
C5 C 0.64933 0.31103 0.99885 1.00000
C6 C 0.53693 0.18696 0.63322 1.00000
C7 C 0.00474 0.02137 0.99178 1.00000
C8 C 0.89234 0.89731 0.62615 1.00000
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