BC11
Alexandria ALEXAlex-ID: agm006148482 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11_33_spg5
B4C C
2023-08-18 11:49:42.209761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148482).
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 agm006148482
data_agm006148482
_cell_length_a 4.41590
_cell_length_b 4.41590
_cell_length_c 5.07458
_cell_angle_alpha 106.60687
_cell_angle_beta 106.60687
_cell_angle_gamma 48.40826
_cell_volume 70.28079
_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 0.99450 0.00550 1.00000 1.00000
C1 C 0.26221 0.73964 0.25588 1.00000
C2 C 0.33085 0.33558 0.16749 1.00000
C3 C 0.58518 0.08024 0.41691 1.00000
C4 C 0.66673 0.66770 0.33483 1.00000
C5 C 0.91976 0.41482 0.58309 1.00000
C6 C 0.99940 0.00060 0.50000 1.00000
C7 C 0.26036 0.73779 0.74412 1.00000
C8 C 0.33230 0.33327 0.66517 1.00000
C9 C 0.57135 0.08704 0.91383 1.00000
C10 C 0.66442 0.66915 0.83251 1.00000
C11 C 0.91296 0.42865 0.08617 1.00000
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