BC2
Alexandria ALEXAlex-ID: agm006149153 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3632_spg8
B4C C
2023-08-18 11:59:58.101631
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149153).
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 agm006149153
data_agm006149153
_cell_length_a 4.59197
_cell_length_b 4.55847
_cell_length_c 4.58177
_cell_angle_alpha 98.42115
_cell_angle_beta 100.61390
_cell_angle_gamma 120.15950
_cell_volume 78.21633
_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 0.18867 0.85716 0.57119 1.00000
B2 B 0.01967 0.68450 0.05381 1.00000
B3 B 0.37327 0.37289 0.13209 1.00000
B4 B 0.83506 0.16878 0.49291 1.00000
C1 C 0.50685 0.50378 0.50918 1.00000
C2 C 0.34122 0.67462 0.98300 1.00000
C3 C 0.22386 0.53638 0.62839 1.00000
C4 C 0.70148 0.03789 0.11582 1.00000
C5 C 0.65708 0.31332 0.99292 1.00000
C6 C 0.55125 0.22835 0.63208 1.00000
C7 C 0.98447 0.00529 0.99661 1.00000
C8 C 0.86712 0.86705 0.64200 1.00000
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