BC2
Alexandria ALEXAlex-ID: agm006147641 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3538_spg8
B4C C
2023-08-18 11:56:14.255393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147641).
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 agm006147641
data_agm006147641
_cell_length_a 6.95008
_cell_length_b 7.21338
_cell_length_c 7.21338
_cell_angle_alpha 160.26064
_cell_angle_beta 141.10813
_cell_angle_gamma 44.16430
_cell_volume 76.48635
_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 0.63069 0.28777 0.34292 1.00000
B2 B 0.13562 0.11601 0.01961 1.00000
B3 B 0.63728 0.95731 0.67997 1.00000
B4 B 0.98365 0.67578 0.30787 1.00000
C1 C 0.00937 0.33622 0.67315 1.00000
C2 C 0.51069 0.16299 0.34770 1.00000
C3 C 0.01134 0.99371 0.01763 1.00000
C4 C 0.47759 0.83426 0.64333 1.00000
C5 C 0.12886 0.79978 0.32908 1.00000
C6 C 0.60609 0.62212 0.98397 1.00000
C7 C 0.48827 0.50568 0.98259 1.00000
C8 C 0.13055 0.45838 0.67217 1.00000
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