CaZn2Au
Alexandria ALEXAlex-ID: agm002812972 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_139_spg141
Ca(Zn2Au)2 CaZn11 CaZnAu
2016-12-14 05:36:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002812972).
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 agm002812972
data_agm002812972
_cell_length_a 4.59398
_cell_length_b 4.59398
_cell_length_c 9.80440
_cell_angle_alpha 76.45073
_cell_angle_beta 76.45073
_cell_angle_gamma 90.00000
_cell_volume 195.23066
_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 0.79184 0.12500 0.25000 1.00000
Zn2 Zn 0.95816 0.62500 0.25000 1.00000
Zn3 Zn 0.37500 0.20816 0.75000 1.00000
Zn4 Zn 0.87500 0.04184 0.75000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.75000 0.25000 0.50000 1.00000
Ca1 Ca 0.50000 0.50000 0.00000 1.00000
Ca2 Ca 0.25000 0.75000 0.50000 1.00000
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