B5C7
Alexandria ALEXAlex-ID: agm006148367 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_170_spg1
B4C C
2023-08-18 10:44:47.079130
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148367).
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 agm006148367
data_agm006148367
_cell_length_a 5.97212
_cell_length_b 5.94875
_cell_length_c 3.60755
_cell_angle_alpha 87.91963
_cell_angle_beta 93.21913
_cell_angle_gamma 141.90783
_cell_volume 78.93697
_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 0.22280 0.88564 0.50532 1.00000
B2 B 0.81059 0.63607 0.26736 1.00000
B3 B 0.35597 0.68007 0.99536 1.00000
B4 B 0.94299 0.49677 0.73090 1.00000
B5 B 0.82065 0.12282 0.46489 1.00000
C1 C 0.48434 0.48802 0.51502 1.00000
C2 C 0.17670 0.33291 0.24438 1.00000
C3 C 0.51871 0.03156 0.25008 1.00000
C4 C 0.64193 0.31679 0.99790 1.00000
C5 C 0.33147 0.17423 0.76464 1.00000
C6 C 0.01440 0.00938 0.01025 1.00000
C7 C 0.67943 0.82573 0.75390 1.00000
Get direct link