Ag(BC3)4
Alexandria ALEXAlex-ID: agm071336769 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_286_spg141
B4C Ag C
2024-08-05 10:54:01.109233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336769).
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 agm071336769
data_agm071336769
_cell_length_a 10.12555
_cell_length_b 10.12555
_cell_length_c 10.12555
_cell_angle_alpha 150.40292
_cell_angle_beta 150.40292
_cell_angle_gamma 42.35028
_cell_volume 252.62111
_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
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.75000 0.25000 0.50000 1.00000
B1 B 0.37500 0.82387 0.94887 1.00000
B2 B 0.37500 0.42613 0.55113 1.00000
B3 B 0.87500 0.42613 0.05113 1.00000
B4 B 0.87500 0.82387 0.44887 1.00000
B5 B 0.17613 0.62500 0.05113 1.00000
B6 B 0.57387 0.62500 0.44887 1.00000
B7 B 0.57387 0.12500 0.94887 1.00000
B8 B 0.17613 0.12500 0.55113 1.00000
C1 C 0.50430 0.71718 0.21288 1.00000
C2 C 0.24570 0.53282 0.28712 1.00000
C3 C 0.50430 0.29142 0.78712 1.00000
C4 C 0.24570 0.95858 0.71288 1.00000
C5 C 0.04142 0.75430 0.28712 1.00000
C6 C 0.70858 0.49570 0.21288 1.00000
C7 C 0.46718 0.75430 0.71288 1.00000
C8 C 0.28282 0.49570 0.78712 1.00000
C9 C 0.43918 0.80427 0.36509 1.00000
C10 C 0.31082 0.44573 0.13491 1.00000
C11 C 0.43918 0.07409 0.63491 1.00000
C12 C 0.31082 0.17591 0.86509 1.00000
C13 C 0.82409 0.68918 0.13491 1.00000
C14 C 0.92591 0.56082 0.36509 1.00000
C15 C 0.55427 0.68918 0.86509 1.00000
C16 C 0.19573 0.56082 0.63491 1.00000
C17 C 0.58072 0.92390 0.34319 1.00000
C18 C 0.16928 0.32610 0.15681 1.00000
C19 C 0.58072 0.23753 0.65681 1.00000
C20 C 0.16928 0.01247 0.84319 1.00000
C21 C 0.98753 0.83072 0.15681 1.00000
C22 C 0.76247 0.41928 0.34319 1.00000
C23 C 0.67390 0.83072 0.84319 1.00000
C24 C 0.07610 0.41928 0.65681 1.00000
