Ca2Zn2Cd15
Alexandria ALEXAlex-ID: agm003301271 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C15_1_spg166
CaCd6 CaZn11 Cd
2022-01-17 22:12:10.746154
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003301271).
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 agm003301271
data_agm003301271
_cell_length_a 7.67142
_cell_length_b 7.67142
_cell_length_c 7.67142
_cell_angle_alpha 82.43774
_cell_angle_beta 82.43774
_cell_angle_gamma 82.43774
_cell_volume 440.63931
_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 0.32869 0.32869 0.32869 1.00000
Ca2 Ca 0.67131 0.67131 0.67131 1.00000
Zn1 Zn 0.09462 0.09462 0.09462 1.00000
Zn2 Zn 0.90538 0.90538 0.90538 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.00000 0.50000 1.00000
Cd3 Cd 0.00000 0.50000 0.00000 1.00000
Cd4 Cd 0.00000 0.70092 0.29908 1.00000
Cd5 Cd 0.70092 0.29908 0.00000 1.00000
Cd6 Cd 0.29908 0.00000 0.70092 1.00000
Cd7 Cd 0.29908 0.70092 0.00000 1.00000
Cd8 Cd 0.70092 0.00000 0.29908 1.00000
Cd9 Cd 0.00000 0.29908 0.70092 1.00000
Cd10 Cd 0.15957 0.64271 0.64271 1.00000
Cd11 Cd 0.64271 0.64271 0.15957 1.00000
Cd12 Cd 0.64271 0.15957 0.64271 1.00000
Cd13 Cd 0.84043 0.35729 0.35729 1.00000
Cd14 Cd 0.35729 0.35729 0.84043 1.00000
Cd15 Cd 0.35729 0.84043 0.35729 1.00000
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