BC2
Alexandria ALEXAlex-ID: agm006147995 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3556_spg6
B4C C
2023-08-18 11:54:21.630461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147995).
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 agm006147995
data_agm006147995
_cell_length_a 2.48097
_cell_length_b 4.67559
_cell_length_c 6.62246
_cell_angle_alpha 92.87141
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 76.72423
_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 0.50000 0.81110 0.35471 1.00000
B2 B 0.50000 0.49112 0.00363 1.00000
B3 B 0.00000 0.34222 0.57971 1.00000
B4 B 0.00000 0.02223 0.22862 1.00000
C1 C 0.50000 0.48123 0.24879 1.00000
C2 C 0.50000 0.15928 0.90715 1.00000
C3 C 0.00000 0.67406 0.67619 1.00000
C4 C 0.00000 0.35211 0.33454 1.00000
C5 C 0.00000 0.00404 0.98768 1.00000
C6 C 0.00000 0.69003 0.90543 1.00000
C7 C 0.50000 0.14330 0.67790 1.00000
C8 C 0.50000 0.82929 0.59565 1.00000
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