B7C5
Alexandria ALEXAlex-ID: agm006147752 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_159_spg8
B4C C
2023-08-18 11:17:49.806283
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147752).
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 agm006147752
data_agm006147752
_cell_length_a 7.34785
_cell_length_b 7.75977
_cell_length_c 7.75977
_cell_angle_alpha 161.96591
_cell_angle_beta 142.98566
_cell_angle_gamma 41.70301
_cell_volume 82.26945
_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 0.01236 0.35343 0.65893 1.00000
B2 B 0.60335 0.26897 0.33437 1.00000
B3 B 0.12499 0.11265 0.01234 1.00000
B4 B 0.63727 0.96558 0.67168 1.00000
B5 B 0.53607 0.84247 0.69360 1.00000
B6 B 0.11828 0.78756 0.33072 1.00000
B7 B 0.97575 0.66798 0.30776 1.00000
C1 C 0.50477 0.15706 0.34771 1.00000
C2 C 0.01421 0.99881 0.01539 1.00000
C3 C 0.60320 0.61910 0.98410 1.00000
C4 C 0.48740 0.51033 0.97707 1.00000
C5 C 0.13237 0.46604 0.66632 1.00000
Get direct link