B3C7
Alexandria ALEXAlex-ID: agm006147183 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_92_spg8
B4C C
2023-08-18 15:45:21.829754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147183).
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 agm006147183
data_agm006147183
_cell_length_a 4.56143
_cell_length_b 4.56143
_cell_length_c 6.54851
_cell_angle_alpha 61.26785
_cell_angle_beta 61.26785
_cell_angle_gamma 33.22807
_cell_volume 64.58806
_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 0.04090 0.04090 0.98523 1.00000
B2 B 0.75754 0.75754 0.07034 1.00000
B3 B 0.40756 0.40756 0.63718 1.00000
C1 C 0.78597 0.78597 0.81359 1.00000
C2 C 0.60319 0.60319 0.82978 1.00000
C3 C 0.60747 0.60747 0.59423 1.00000
C4 C 0.39988 0.39988 0.39571 1.00000
C5 C 0.20237 0.20237 0.45022 1.00000
C6 C 0.19825 0.19825 0.21875 1.00000
C7 C 0.99687 0.99687 0.25496 1.00000
Get direct link