BC3
Alexandria ALEXAlex-ID: agm006148484 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_2085_spg5
B4C C
2023-08-18 12:05:25.118943
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148484).
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 agm006148484
data_agm006148484
_cell_length_a 4.52560
_cell_length_b 4.43920
_cell_length_c 5.19677
_cell_angle_alpha 105.12978
_cell_angle_beta 105.42753
_cell_angle_gamma 48.49732
_cell_volume 74.85204
_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 0.96083 0.02625 0.96594 1.00000
B2 B 0.29966 0.70402 0.29247 1.00000
B3 B 0.58355 0.09369 0.41938 1.00000
C1 C 0.31356 0.33828 0.14384 1.00000
C2 C 0.68841 0.65190 0.33284 1.00000
C3 C 0.92147 0.41949 0.58697 1.00000
C4 C 0.00407 0.01085 0.51243 1.00000
C5 C 0.26337 0.73571 0.74813 1.00000
C6 C 0.32552 0.34006 0.66956 1.00000
C7 C 0.56287 0.08743 0.91026 1.00000
C8 C 0.66091 0.66774 0.83125 1.00000
C9 C 0.91578 0.42459 0.08693 1.00000
Get direct link