B5C7
Alexandria ALEXAlex-ID: agm006147671 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_161_spg8
B4C C
2023-08-18 10:38:10.464801
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147671).
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 agm006147671
data_agm006147671
_cell_length_a 6.99312
_cell_length_b 7.05626
_cell_length_c 7.05626
_cell_angle_alpha 159.11375
_cell_angle_beta 140.60657
_cell_angle_gamma 45.04890
_cell_volume 78.59595
_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 0.99335 0.33586 0.65749 1.00000
B2 B 0.16646 0.13077 0.03569 1.00000
B3 B 0.96691 0.97898 0.98793 1.00000
B4 B 0.49396 0.83584 0.65811 1.00000
B5 B 0.97879 0.67198 0.30681 1.00000
C1 C 0.62496 0.28378 0.34118 1.00000
C2 C 0.51845 0.16609 0.35236 1.00000
C3 C 0.61666 0.96399 0.65266 1.00000
C4 C 0.12822 0.79201 0.33620 1.00000
C5 C 0.62097 0.62344 0.99753 1.00000
C6 C 0.49737 0.50239 0.99498 1.00000
C7 C 0.14391 0.46487 0.67904 1.00000
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