B4RuC12
Alexandria ALEXAlex-ID: agm071336768 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_286_spg141
B3Ru2 C B4C
2024-08-05 11:35:59.533849
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336768).
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 agm071336768
data_agm071336768
_cell_length_a 10.12335
_cell_length_b 10.12335
_cell_length_c 10.12335
_cell_angle_alpha 150.48372
_cell_angle_beta 150.48372
_cell_angle_gamma 42.23182
_cell_volume 251.21067
_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 0.87500 0.42476 0.04976 1.00000
B2 B 0.87500 0.82524 0.45024 1.00000
B3 B 0.37500 0.82524 0.95024 1.00000
B4 B 0.37500 0.42476 0.54976 1.00000
B5 B 0.57524 0.12500 0.95024 1.00000
B6 B 0.17476 0.12500 0.54976 1.00000
B7 B 0.17476 0.62500 0.04976 1.00000
B8 B 0.57524 0.62500 0.45024 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.75000 0.25000 0.50000 1.00000
C1 C 0.50453 0.29171 0.78718 1.00000
C2 C 0.24547 0.95829 0.71282 1.00000
C3 C 0.50453 0.71736 0.21282 1.00000
C4 C 0.24547 0.53264 0.28718 1.00000
C5 C 0.46736 0.75453 0.71282 1.00000
C6 C 0.28264 0.49547 0.78718 1.00000
C7 C 0.04171 0.75453 0.28718 1.00000
C8 C 0.70829 0.49547 0.21282 1.00000
C9 C 0.43972 0.07410 0.63438 1.00000
C10 C 0.31028 0.17590 0.86562 1.00000
C11 C 0.43972 0.80534 0.36562 1.00000
C12 C 0.31028 0.44466 0.13438 1.00000
C13 C 0.55534 0.68972 0.86562 1.00000
C14 C 0.19466 0.56028 0.63438 1.00000
C15 C 0.82410 0.68972 0.13438 1.00000
C16 C 0.92590 0.56028 0.36562 1.00000
C17 C 0.58069 0.23800 0.65731 1.00000
C18 C 0.16931 0.01200 0.84269 1.00000
C19 C 0.58069 0.92337 0.34269 1.00000
C20 C 0.16931 0.32663 0.15731 1.00000
C21 C 0.67337 0.83069 0.84269 1.00000
C22 C 0.07663 0.41931 0.65731 1.00000
C23 C 0.98800 0.83069 0.15731 1.00000
C24 C 0.76200 0.41931 0.34269 1.00000
