B5C
Alexandria ALEXAlex-ID: agm006149376 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_789_spg2
B13C2 B4C
2023-08-18 11:11:34.498948
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149376).
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 agm006149376
data_agm006149376
_cell_length_a 4.63244
_cell_length_b 5.38977
_cell_length_c 4.33848
_cell_angle_alpha 78.47121
_cell_angle_beta 111.60205
_cell_angle_gamma 125.24545
_cell_volume 82.24073
_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 0.14891 0.90103 0.45322 1.00000
B2 B 0.07217 0.63046 0.18836 1.00000
B3 B 0.46950 0.57788 0.43664 1.00000
B4 B 0.39276 0.30730 0.17178 1.00000
B5 B 0.39483 0.66222 0.01505 1.00000
B6 B 0.14684 0.54611 0.60995 1.00000
B7 B 0.88463 0.15710 0.65405 1.00000
B8 B 0.65704 0.05123 0.97095 1.00000
B9 B 0.60035 0.28119 0.62652 1.00000
B10 B 0.94132 0.92715 0.99848 1.00000
C1 C 0.67214 0.32722 0.02308 1.00000
C2 C 0.86953 0.88112 0.60192 1.00000
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