BC2
Alexandria ALEXAlex-ID: agm006148489 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3588_spg5
B4C C
2023-08-18 11:58:33.237426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148489).
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 agm006148489
data_agm006148489
_cell_length_a 4.43909
_cell_length_b 4.41558
_cell_length_c 5.34619
_cell_angle_alpha 107.69157
_cell_angle_beta 110.58053
_cell_angle_gamma 50.32267
_cell_volume 75.04505
_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 0.05196 0.99775 0.99506 1.00000
B2 B 0.16276 0.75037 0.26233 1.00000
B3 B 0.37142 0.24644 0.15035 1.00000
B4 B 0.65031 0.67736 0.31346 1.00000
C1 C 0.56952 0.10547 0.44331 1.00000
C2 C 0.91903 0.41306 0.58840 1.00000
C3 C 0.97894 0.01241 0.51410 1.00000
C4 C 0.27218 0.74272 0.75068 1.00000
C5 C 0.33343 0.34251 0.66881 1.00000
C6 C 0.60534 0.07039 0.91482 1.00000
C7 C 0.68069 0.66531 0.81672 1.00000
C8 C 0.90442 0.47621 0.08195 1.00000
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