B2C
Alexandria ALEXAlex-ID: agm006148686 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3598_spg2
B4C C
2023-08-18 15:14:32.358177
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148686).
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 agm006148686
data_agm006148686
_cell_length_a 3.55991
_cell_length_b 5.08506
_cell_length_c 5.54476
_cell_angle_alpha 116.97017
_cell_angle_beta 102.05961
_cell_angle_gamma 74.08948
_cell_volume 85.60966
_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 0.75374 0.93821 0.01774 1.00000
B2 B 0.97514 0.79034 0.70596 1.00000
B3 B 0.14327 0.29723 0.80433 1.00000
B4 B 0.42533 0.48152 0.65385 1.00000
B5 B 0.57467 0.51848 0.34615 1.00000
B6 B 0.85673 0.70277 0.19567 1.00000
B7 B 0.02486 0.20966 0.29404 1.00000
B8 B 0.24626 0.06179 0.98226 1.00000
C1 C 0.34087 0.14420 0.53443 1.00000
C2 C 0.65913 0.85580 0.46557 1.00000
C3 C 0.18985 0.41449 0.16102 1.00000
C4 C 0.81015 0.58551 0.83898 1.00000
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