B5C7
Alexandria ALEXAlex-ID: agm006148595 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_172_spg1
B4C C
2023-08-18 10:46:39.443723
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148595).
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 agm006148595
data_agm006148595
_cell_length_a 4.63042
_cell_length_b 4.63046
_cell_length_c 5.25087
_cell_angle_alpha 106.71564
_cell_angle_beta 106.71539
_cell_angle_gamma 47.79455
_cell_volume 79.16115
_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 0.98821 0.00897 0.00021 1.00000
B2 B 0.32294 0.33966 0.16709 1.00000
B3 B 0.66828 0.66505 0.33333 1.00000
B4 B 0.99368 0.01040 0.49958 1.00000
B5 B 0.32437 0.34513 0.66646 1.00000
C1 C 0.25633 0.73693 0.24973 1.00000
C2 C 0.59641 0.07699 0.41693 1.00000
C3 C 0.91009 0.42630 0.59782 1.00000
C4 C 0.27598 0.74194 0.75186 1.00000
C5 C 0.59139 0.05735 0.91481 1.00000
C6 C 0.66529 0.66805 0.83333 1.00000
C7 C 0.90703 0.42324 0.06884 1.00000
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