B2C
Alexandria ALEXAlex-ID: agm006148644 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3586_spg1
B4C C
2023-08-18 15:13:21.952142
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148644).
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 agm006148644
data_agm006148644
_cell_length_a 3.50995
_cell_length_b 4.32082
_cell_length_c 6.48593
_cell_angle_alpha 112.48127
_cell_angle_beta 78.30959
_cell_angle_gamma 91.21994
_cell_volume 88.83224
_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 0.95735 0.05370 0.96508 1.00000
B2 B 0.25901 0.98217 0.69093 1.00000
B3 B 0.26587 0.40454 0.85156 1.00000
B4 B 0.55916 0.26262 0.58811 1.00000
B5 B 0.60336 0.65658 0.59469 1.00000
B6 B 0.02466 0.07994 0.49077 1.00000
B7 B 0.23191 0.85684 0.21572 1.00000
B8 B 0.33260 0.34346 0.36788 1.00000
C1 C 0.04188 0.69880 0.48424 1.00000
C2 C 0.62079 0.31376 0.13197 1.00000
C3 C 0.61712 0.62669 0.11163 1.00000
C4 C 0.98628 0.72090 0.00743 1.00000
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