B3C
Alexandria ALEXAlex-ID: agm006148702 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_2084_spg1
B4C C
2023-08-18 16:13:22.554049
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148702).
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 agm006148702
data_agm006148702
_cell_length_a 3.45588
_cell_length_b 5.33695
_cell_length_c 5.49853
_cell_angle_alpha 113.10597
_cell_angle_beta 103.10345
_cell_angle_gamma 74.01027
_cell_volume 88.85930
_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 0.83774 0.97147 0.08085 1.00000
B2 B 0.37088 0.12163 0.74771 1.00000
B3 B 0.36242 0.46896 0.92715 1.00000
B4 B 0.55965 0.24020 0.56356 1.00000
B5 B 0.74924 0.56207 0.58598 1.00000
B6 B 0.99571 0.96462 0.53338 1.00000
B7 B 0.31557 0.05070 0.22346 1.00000
B8 B 0.32603 0.40565 0.34731 1.00000
B9 B 0.68528 0.70005 0.13943 1.00000
C1 C 0.93585 0.65409 0.40548 1.00000
C2 C 0.44918 0.21296 0.05467 1.00000
C3 C 0.91245 0.64761 0.89101 1.00000
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