BC2
Alexandria ALEXAlex-ID: agm006149167 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3632_spg8
B4C C
2023-08-18 12:00:28.713039
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149167).
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 agm006149167
data_agm006149167
_cell_length_a 4.55372
_cell_length_b 4.69853
_cell_length_c 4.40429
_cell_angle_alpha 94.46167
_cell_angle_beta 102.73036
_cell_angle_gamma 120.92497
_cell_volume 76.76744
_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 0.16357 0.89126 0.50262 1.00000
B2 B 0.04223 0.66168 0.11950 1.00000
B3 B 0.26431 0.58974 0.60448 1.00000
B4 B 0.75341 0.10153 0.49031 1.00000
C1 C 0.50732 0.49270 0.48951 1.00000
C2 C 0.38454 0.37131 0.11959 1.00000
C3 C 0.33828 0.65769 0.98512 1.00000
C4 C 0.70247 0.03447 0.12101 1.00000
C5 C 0.65605 0.31594 0.99927 1.00000
C6 C 0.55855 0.24008 0.63845 1.00000
C7 C 0.00544 0.01709 0.02779 1.00000
C8 C 0.87382 0.87652 0.65236 1.00000
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