B7C3
Alexandria ALEXAlex-ID: agm006147338 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_93_spg1
B4C C
2023-08-18 11:10:47.060928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147338).
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 agm006147338
data_agm006147338
_cell_length_a 4.66949
_cell_length_b 4.66949
_cell_length_c 5.12448
_cell_angle_alpha 88.78562
_cell_angle_beta 105.71178
_cell_angle_gamma 136.55825
_cell_volume 71.31541
_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 0.18275 0.56908 0.85842 1.00000
B2 B 0.22390 0.82844 0.42575 1.00000
B3 B 0.38685 0.26147 0.63324 1.00000
B4 B 0.60268 0.39815 0.37425 1.00000
B5 B 0.58298 0.78298 0.40000 1.00000
B6 B 0.82823 0.35362 0.16676 1.00000
B7 B 0.91066 0.92433 0.94158 1.00000
C1 C 0.67074 0.91765 0.10791 1.00000
C2 C 0.85146 0.55146 0.90000 1.00000
C3 C 0.00974 0.16283 0.69209 1.00000
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