BC4
Alexandria ALEXAlex-ID: agm006147347 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_842_spg74
B4C C
2023-08-18 12:09:24.859175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147347).
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
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# CIF generated by HEAS from Alexandria entry agm006147347
data_agm006147347
_cell_length_a 6.85315
_cell_length_b 6.83870
_cell_length_c 6.83869
_cell_angle_alpha 158.83034
_cell_angle_beta 148.17044
_cell_angle_gamma 38.53035
_cell_volume 60.95879
_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 0.74041 0.49901 0.24140 1.00000
B2 B 0.20959 0.20099 0.00860 1.00000
C1 C 0.03369 0.99909 0.03460 1.00000
C2 C 0.91631 0.70091 0.21540 1.00000
C3 C 0.39288 0.39722 0.99566 1.00000
C4 C 0.15356 0.89773 0.25583 1.00000
C5 C 0.59594 0.60367 0.99227 1.00000
C6 C 0.35406 0.09633 0.25773 1.00000
C7 C 0.79644 0.80227 0.99417 1.00000
C8 C 0.55712 0.30278 0.25434 1.00000
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