In8CoAg6
Alexandria ALEXAlex-ID: agm072487367 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_61_spg2
In2Ag5 In Co
2024-10-05 20:36:41.818614
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072487367).
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 agm072487367
data_agm072487367
_cell_length_a 6.94643
_cell_length_b 6.94643
_cell_length_c 6.94643
_cell_angle_alpha 89.37796
_cell_angle_beta 89.37796
_cell_angle_gamma 89.37796
_cell_volume 335.12671
_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
In1 In 0.21318 0.21318 0.21318 1.00000
In2 In 0.78682 0.78682 0.78682 1.00000
In3 In 0.78272 0.11217 0.30467 1.00000
In4 In 0.30467 0.78272 0.11217 1.00000
In5 In 0.11217 0.30467 0.78272 1.00000
In6 In 0.21728 0.88783 0.69533 1.00000
In7 In 0.69533 0.21728 0.88783 1.00000
In8 In 0.88783 0.69533 0.21728 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.20166 0.54529 0.45835 1.00000
Ag2 Ag 0.45835 0.20166 0.54529 1.00000
Ag3 Ag 0.54529 0.45835 0.20166 1.00000
Ag4 Ag 0.79834 0.45471 0.54165 1.00000
Ag5 Ag 0.54165 0.79834 0.45471 1.00000
Ag6 Ag 0.45471 0.54165 0.79834 1.00000
Get direct link