B3C
Alexandria ALEXAlex-ID: agm070938451 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_26_spg194
B4C C
2024-07-18 17:03:24.294577
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070938451).
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 agm070938451
data_agm070938451
_cell_length_a 2.64750
_cell_length_b 5.05232
_cell_length_c 4.96656
_cell_angle_alpha 65.32619
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 60.36740
_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 0.50000 0.35891 0.66123 1.00000
B2 B 0.50000 0.00116 0.71853 1.00000
B3 B 0.50000 0.93120 0.31049 1.00000
B4 B 0.00000 0.49462 0.85283 1.00000
B5 B 0.00000 0.58086 0.16905 1.00000
B6 B 0.00000 0.19309 0.17788 1.00000
C1 C 0.50000 0.61830 0.32835 1.00000
C2 C 0.00000 0.82186 0.78163 1.00000
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