Ce2Zn6Cd
Alexandria ALEXAlex-ID: agm005603526 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_687_spg164
Ce3Zn22 Ce3Zn11 CeZn2Cd
2023-07-12 23:40:28.577357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603526).
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 agm005603526
data_agm005603526
_cell_length_a 5.81751
_cell_length_b 5.93559
_cell_length_c 5.93558
_cell_angle_alpha 59.99849
_cell_angle_beta 89.99628
_cell_angle_gamma 89.99627
_cell_volume 177.49598
_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
Ce1 Ce 0.83935 0.66666 0.66666 1.00000
Ce2 Ce 0.16065 0.33334 0.33334 1.00000
Zn1 Zn 0.34462 0.36489 0.81758 1.00000
Zn2 Zn 0.34462 0.81756 0.81756 1.00000
Zn3 Zn 0.34462 0.81758 0.36489 1.00000
Zn4 Zn 0.65538 0.63511 0.18242 1.00000
Zn5 Zn 0.65538 0.18244 0.18244 1.00000
Zn6 Zn 0.65538 0.18242 0.63511 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Get direct link