Ca6ZnCd5
Alexandria ALEXAlex-ID: agm014262113 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
CaZn CaCd
2025-02-28 11:44:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014262113).
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
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# CIF generated by HEAS from Alexandria entry agm014262113
data_agm014262113
_cell_length_a 9.34423
_cell_length_b 9.34423
_cell_length_c 9.34423
_cell_angle_alpha 146.44166
_cell_angle_beta 131.73817
_cell_angle_gamma 60.06277
_cell_volume 333.45828
_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 0.91731 0.66374 0.25357 1.00000
Ca2 Ca 0.41017 0.66374 0.74643 1.00000
Ca3 Ca 0.75682 0.00000 0.75682 1.00000
Ca4 Ca 0.24318 0.00000 0.24318 1.00000
Ca5 Ca 0.58983 0.33626 0.25357 1.00000
Ca6 Ca 0.08269 0.33626 0.74643 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.82983 0.82983 0.00000 1.00000
Cd2 Cd 0.66703 0.16703 0.50000 1.00000
Cd3 Cd 0.50000 0.50000 0.00000 1.00000
Cd4 Cd 0.33297 0.83297 0.50000 1.00000
Cd5 Cd 0.17017 0.17017 0.00000 1.00000
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