BC5
Alexandria ALEXAlex-ID: agm005509220 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_264_spg2
B4C C
2023-03-22 20:31:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509220).
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 agm005509220
data_agm005509220
_cell_length_a 4.45368
_cell_length_b 4.46112
_cell_length_c 4.46621
_cell_angle_alpha 120.01071
_cell_angle_beta 99.26591
_cell_angle_gamma 100.01006
_cell_volume 72.40046
_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
C1 C 0.68532 0.21625 0.88483 1.00000
C2 C 0.31468 0.78375 0.11517 1.00000
C3 C 0.31576 0.09659 0.77239 1.00000
C4 C 0.68424 0.90341 0.22761 1.00000
C5 C 0.79861 0.26832 0.60178 1.00000
C6 C 0.20139 0.73168 0.39822 1.00000
C7 C 0.68382 0.55992 0.57339 1.00000
C8 C 0.31618 0.44008 0.42661 1.00000
C9 C 0.18815 0.06382 0.06311 1.00000
C10 C 0.81185 0.93618 0.93689 1.00000
B1 B 0.19004 0.39489 0.73077 1.00000
B2 B 0.80996 0.60511 0.26923 1.00000
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