B7C5
Alexandria ALEXAlex-ID: agm006148564 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_235_spg1
B4C C
2023-08-18 11:27:46.909897
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148564).
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 agm006148564
data_agm006148564
_cell_length_a 4.92424
_cell_length_b 4.49410
_cell_length_c 5.38969
_cell_angle_alpha 102.32295
_cell_angle_beta 105.35877
_cell_angle_gamma 46.31491
_cell_volume 83.09282
_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 0.91112 0.04311 0.06874 1.00000
B2 B 0.29931 0.66688 0.30708 1.00000
B3 B 0.31387 0.24926 0.13835 1.00000
B4 B 0.54698 0.18850 0.44162 1.00000
B5 B 0.68695 0.67626 0.31825 1.00000
B6 B 0.96522 0.09188 0.47180 1.00000
B7 B 0.36552 0.64890 0.66006 1.00000
C1 C 0.94704 0.45088 0.60452 1.00000
C2 C 0.30903 0.36903 0.70121 1.00000
C3 C 0.56631 0.06886 0.91365 1.00000
C4 C 0.69028 0.64918 0.81566 1.00000
C5 C 0.89837 0.39725 0.05906 1.00000
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