B5C7
Alexandria ALEXAlex-ID: agm006147679 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_160_spg8
B4C C
2023-08-18 10:38:51.933720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147679).
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 agm006147679
data_agm006147679
_cell_length_a 7.23554
_cell_length_b 7.24733
_cell_length_c 7.24733
_cell_angle_alpha 159.65768
_cell_angle_beta 142.99263
_cell_angle_gamma 42.60070
_cell_volume 79.37480
_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 0.07018 0.34615 0.72403 1.00000
B2 B 0.59286 0.27367 0.31919 1.00000
B3 B 0.64689 0.96431 0.68258 1.00000
B4 B 0.46685 0.83808 0.62877 1.00000
B5 B 0.98746 0.66698 0.32049 1.00000
C1 C 0.49056 0.15752 0.33304 1.00000
C2 C 0.13526 0.11814 0.01711 1.00000
C3 C 0.02029 0.00427 0.01603 1.00000
C4 C 0.08847 0.78671 0.30176 1.00000
C5 C 0.61238 0.62056 0.99182 1.00000
C6 C 0.49652 0.50822 0.98830 1.00000
C7 C 0.14229 0.46541 0.67688 1.00000
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