B4C
Alexandria ALEXAlex-ID: agm006147339 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_834_spg5
B4C
2023-08-18 10:19:10.744883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147339).
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 agm006147339
data_agm006147339
_cell_length_a 4.35389
_cell_length_b 4.35389
_cell_length_c 4.92542
_cell_angle_alpha 105.68660
_cell_angle_beta 103.80562
_cell_angle_gamma 115.09876
_cell_volume 74.41913
_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 0.17082 0.57082 0.80000 1.00000
B2 B 0.25171 0.57374 0.45119 1.00000
B3 B 0.40258 0.35542 0.65943 1.00000
B4 B 0.44023 0.34023 0.30000 1.00000
B5 B 0.67280 0.81597 0.37530 1.00000
B6 B 0.52255 0.00052 0.14881 1.00000
B7 B 0.84067 0.49750 0.22470 1.00000
B8 B 0.09599 0.94316 0.94057 1.00000
C1 C 0.81133 0.54778 0.90646 1.00000
C2 C 0.04132 0.10488 0.69354 1.00000
Get direct link