B7C3
Alexandria ALEXAlex-ID: agm006147254 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_91_spg8
B4C C
2023-08-18 11:09:53.349221
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147254).
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 agm006147254
data_agm006147254
_cell_length_a 4.53488
_cell_length_b 4.53488
_cell_length_c 6.68527
_cell_angle_alpha 113.04528
_cell_angle_beta 113.04528
_cell_angle_gamma 34.11617
_cell_volume 70.34981
_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 0.03106 0.03106 0.01246 1.00000
B2 B 0.25462 0.25462 0.05285 1.00000
B3 B 0.13988 0.13988 0.77214 1.00000
B4 B 0.36897 0.36897 0.86945 1.00000
B5 B 0.37680 0.37680 0.62106 1.00000
B6 B 0.59371 0.59371 0.41495 1.00000
B7 B 0.80401 0.80401 0.41327 1.00000
C1 C 0.56687 0.56687 0.63338 1.00000
C2 C 0.83654 0.83654 0.20631 1.00000
C3 C 0.02755 0.02755 0.25414 1.00000
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