B5C7
Alexandria ALEXAlex-ID: agm006148441 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_170_spg1
B4C C
2023-08-18 10:42:48.154555
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148441).
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 agm006148441
data_agm006148441
_cell_length_a 6.14981
_cell_length_b 6.14981
_cell_length_c 3.69017
_cell_angle_alpha 90.32503
_cell_angle_beta 90.32502
_cell_angle_gamma 145.30835
_cell_volume 79.41922
_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 0.18880 0.81120 0.50000 1.00000
B2 B 0.79776 0.64921 0.22301 1.00000
B3 B 0.32962 0.67038 1.00000 1.00000
B4 B 0.82771 0.17229 0.50000 1.00000
B5 B 0.35079 0.20224 0.77699 1.00000
C1 C 0.49487 0.50513 0.50000 1.00000
C2 C 0.17493 0.32634 0.24803 1.00000
C3 C 0.98591 0.49248 0.76188 1.00000
C4 C 0.50752 0.01409 0.23812 1.00000
C5 C 0.67465 0.32535 0.00000 1.00000
C6 C 0.99377 0.00623 1.00000 1.00000
C7 C 0.67366 0.82507 0.75197 1.00000
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