ZnCdPCl
Alexandria ALEXAlex-ID: agm075082452 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_1845_spg4
ZnP2 ZnCl2 Cd
2025-01-20 01:12:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075082452).
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 agm075082452
data_agm075082452
_cell_length_a 6.71245
_cell_length_b 12.07321
_cell_length_c 11.55753
_cell_angle_alpha 57.09035
_cell_angle_beta 89.99525
_cell_angle_gamma 89.98860
_cell_volume 786.32859
_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
Zn1 Zn 0.49564 0.12219 0.38094 1.00000
Zn2 Zn 0.68402 0.71844 0.73534 1.00000
Zn3 Zn 0.23331 0.78321 0.23799 1.00000
Zn4 Zn 0.99554 0.26476 0.28072 1.00000
Zn5 Zn 0.18410 0.66829 0.92722 1.00000
Zn6 Zn 0.73342 0.60258 0.42488 1.00000
Cd1 Cd 0.57173 0.37785 0.02356 1.00000
Cd2 Cd 0.77841 0.79844 0.02191 1.00000
Cd3 Cd 0.23823 0.40809 0.44843 1.00000
Cd4 Cd 0.07165 0.00878 0.63874 1.00000
Cd5 Cd 0.27815 0.58782 0.64085 1.00000
Cd6 Cd 0.73785 0.97778 0.21457 1.00000
P1 P 0.91023 0.80697 0.81564 1.00000
P2 P 0.38722 0.60296 0.42900 1.00000
P3 P 0.73786 0.18503 0.21608 1.00000
P4 P 0.41027 0.57977 0.84682 1.00000
P5 P 0.88712 0.78293 0.23393 1.00000
P6 P 0.23764 0.20144 0.44587 1.00000
Cl1 Cl 0.49353 0.88847 0.52650 1.00000
Cl2 Cl 0.87199 0.62144 0.62779 1.00000
Cl3 Cl 0.35453 0.99890 0.14313 1.00000
Cl4 Cl 0.99218 0.49826 0.13533 1.00000
Cl5 Cl 0.37206 0.76456 0.03513 1.00000
Cl6 Cl 0.85479 0.38701 0.51958 1.00000
