B7C5
Alexandria ALEXAlex-ID: agm006148458 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_170_spg1
B4C C
2023-08-18 11:27:01.884286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148458).
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 agm006148458
data_agm006148458
_cell_length_a 6.16930
_cell_length_b 6.16930
_cell_length_c 3.86954
_cell_angle_alpha 90.31398
_cell_angle_beta 90.31401
_cell_angle_gamma 144.53507
_cell_volume 85.43604
_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 0.83903 0.66097 0.25000 1.00000
B2 B 0.18585 0.31415 0.25000 1.00000
B3 B 0.33280 0.64744 0.94168 1.00000
B4 B 0.98082 0.51918 0.75000 1.00000
B5 B 0.85256 0.16720 0.55832 1.00000
B6 B 0.47411 0.02589 0.25000 1.00000
B7 B 0.33611 0.16389 0.75000 1.00000
C1 C 0.16428 0.83808 0.50750 1.00000
C2 C 0.50261 0.50957 0.51387 1.00000
C3 C 0.66192 0.33572 0.99250 1.00000
C4 C 0.99043 0.99739 0.98613 1.00000
C5 C 0.67949 0.82051 0.75000 1.00000
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