Ca(ZnCd2)4
Alexandria ALEXAlex-ID: agm003671870 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
CaCd6 CaZn11 Cd
2022-04-20 20:58:33.582614
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003671870).
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 agm003671870
data_agm003671870
_cell_length_a 5.62252
_cell_length_b 7.45422
_cell_length_c 7.45422
_cell_angle_alpha 81.82297
_cell_angle_beta 67.84356
_cell_angle_gamma 67.84356
_cell_volume 267.98156
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
Zn3 Zn 0.00000 0.50000 0.00000 1.00000
Zn4 Zn 0.50000 0.50000 0.00000 1.00000
Cd1 Cd 0.00000 0.34594 0.65406 1.00000
Cd2 Cd 0.00000 0.65406 0.34594 1.00000
Cd3 Cd 0.34594 0.65406 0.65406 1.00000
Cd4 Cd 0.65406 0.34594 0.34594 1.00000
Cd5 Cd 0.50000 0.78370 0.21630 1.00000
Cd6 Cd 0.50000 0.21630 0.78370 1.00000
Cd7 Cd 0.28370 0.21630 0.21630 1.00000
Cd8 Cd 0.71630 0.78370 0.78370 1.00000
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