Ca8Zn6Ag
Alexandria ALEXAlex-ID: agm072139588 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_61_spg2
CaZn Ca5ZnAg2
2024-10-05 12:18:44.465993
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072139588).
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 agm072139588
data_agm072139588
_cell_length_a 7.62812
_cell_length_b 7.62812
_cell_length_c 7.62812
_cell_angle_alpha 89.00298
_cell_angle_beta 89.00298
_cell_angle_gamma 89.00298
_cell_volume 443.66763
_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
Ca1 Ca 0.77468 0.77468 0.77468 1.00000
Ca2 Ca 0.22532 0.22532 0.22532 1.00000
Ca3 Ca 0.24492 0.63634 0.91317 1.00000
Ca4 Ca 0.63634 0.91317 0.24492 1.00000
Ca5 Ca 0.91317 0.24492 0.63634 1.00000
Ca6 Ca 0.75508 0.36366 0.08683 1.00000
Ca7 Ca 0.36366 0.08683 0.75508 1.00000
Ca8 Ca 0.08683 0.75508 0.36366 1.00000
Zn1 Zn 0.73401 0.56314 0.44023 1.00000
Zn2 Zn 0.56314 0.44023 0.73401 1.00000
Zn3 Zn 0.44023 0.73401 0.56314 1.00000
Zn4 Zn 0.26599 0.43686 0.55977 1.00000
Zn5 Zn 0.43686 0.55977 0.26599 1.00000
Zn6 Zn 0.55977 0.26599 0.43686 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Get direct link