Ca3Zn9Au2
Alexandria ALEXAlex-ID: agm005604648 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_126_spg71
Ca2Zn17 CaZnAu Ca3Zn11
2023-06-13 23:02:37.732480
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604648).
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 agm005604648
data_agm005604648
_cell_length_a 4.38547
_cell_length_b 8.37822
_cell_length_c 8.37822
_cell_angle_alpha 66.29390
_cell_angle_beta 74.82793
_cell_angle_gamma 74.82793
_cell_volume 267.73683
_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
Ca2 Ca 0.69345 0.30655 0.30655 1.00000
Ca3 Ca 0.30655 0.69345 0.69345 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.67475 0.96674 0.68375 1.00000
Zn3 Zn 0.32525 0.03326 0.31625 1.00000
Zn4 Zn 0.67475 0.68375 0.96674 1.00000
Zn5 Zn 0.32525 0.31625 0.03326 1.00000
Zn6 Zn 0.86992 0.84945 0.41071 1.00000
Zn7 Zn 0.13008 0.15055 0.58929 1.00000
Zn8 Zn 0.86992 0.41071 0.84945 1.00000
Zn9 Zn 0.13008 0.58929 0.15055 1.00000
Au1 Au 0.50000 0.29147 0.70853 1.00000
Au2 Au 0.50000 0.70853 0.29147 1.00000
Get direct link