B5C7
Alexandria ALEXAlex-ID: agm006147667 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_160_spg8
B4C C
2023-08-18 10:38:07.872072
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147667).
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 agm006147667
data_agm006147667
_cell_length_a 7.15652
_cell_length_b 7.28277
_cell_length_c 7.28277
_cell_angle_alpha 159.92758
_cell_angle_beta 142.32235
_cell_angle_gamma 43.14293
_cell_volume 79.45383
_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 0.06854 0.34341 0.72514 1.00000
B2 B 0.58552 0.27343 0.31209 1.00000
B3 B 0.99481 0.00330 0.99152 1.00000
B4 B 0.48167 0.84480 0.63687 1.00000
B5 B 0.98936 0.66857 0.32079 1.00000
C1 C 0.49572 0.15670 0.33902 1.00000
C2 C 0.14430 0.12443 0.01987 1.00000
C3 C 0.62337 0.96499 0.65838 1.00000
C4 C 0.09765 0.78801 0.30964 1.00000
C5 C 0.61535 0.62013 0.99522 1.00000
C6 C 0.50396 0.50278 0.00118 1.00000
C7 C 0.14973 0.45946 0.69027 1.00000
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