BC4
Alexandria ALEXAlex-ID: agm006147294 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_835_spg88
B4C C
2023-08-18 12:07:37.205396
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006147294).
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 agm006147294
data_agm006147294
_cell_length_a 4.44697
_cell_length_b 4.44697
_cell_length_c 4.51161
_cell_angle_alpha 98.76808
_cell_angle_beta 100.27635
_cell_angle_gamma 131.63325
_cell_volume 60.99829
_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 0.20068 0.60107 0.79801 1.00000
B2 B 0.40305 0.20267 0.60199 1.00000
C1 C 0.24674 0.73700 0.48481 1.00000
C2 C 0.45390 0.35324 0.29136 1.00000
C3 C 0.59895 0.79879 0.39711 1.00000
C4 C 0.66188 0.96254 0.10864 1.00000
C5 C 0.80051 0.40051 0.20000 1.00000
C6 C 0.85219 0.56193 0.91519 1.00000
C7 C 0.00168 0.00183 0.00289 1.00000
C8 C 0.03043 0.13043 0.70000 1.00000
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