B2C
Alexandria ALEXAlex-ID: agm006148697 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3588_spg5
B4C C
2023-08-18 15:13:33.192956
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148697).
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 agm006148697
data_agm006148697
_cell_length_a 3.72737
_cell_length_b 4.58608
_cell_length_c 5.65816
_cell_angle_alpha 103.67343
_cell_angle_beta 86.31073
_cell_angle_gamma 70.01858
_cell_volume 87.19974
_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 0.92082 0.02510 0.92469 1.00000
B2 B 0.27995 0.01889 0.70294 1.00000
B3 B 0.31718 0.41492 0.86745 1.00000
B4 B 0.56250 0.24856 0.56816 1.00000
B5 B 0.66845 0.65264 0.68032 1.00000
B6 B 0.36766 0.98716 0.38531 1.00000
B7 B 0.31173 0.34664 0.30025 1.00000
B8 B 0.71097 0.63781 0.15271 1.00000
C1 C 0.90646 0.66264 0.42511 1.00000
C2 C 0.98515 0.97310 0.49925 1.00000
C3 C 0.57279 0.34185 0.07749 1.00000
C4 C 0.89632 0.69069 0.91633 1.00000
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