ZrCd2(GaAu)2
Alexandria ALEXAlex-ID: agm023097285 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_67_spg12
Cd3Au2 Zr2Ga5Au ZrGaAu
2025-05-02 09:10:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023097285).
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 agm023097285
data_agm023097285
_cell_length_a 8.37102
_cell_length_b 8.37102
_cell_length_c 8.37102
_cell_angle_alpha 31.06140
_cell_angle_beta 31.06140
_cell_angle_gamma 31.06140
_cell_volume 138.54248
_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
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.86478 0.86478 0.86478 1.00000
Cd2 Cd 0.13522 0.13522 0.13522 1.00000
Ga1 Ga 0.38942 0.38942 0.38942 1.00000
Ga2 Ga 0.61058 0.61058 0.61058 1.00000
Au1 Au 0.25960 0.25960 0.25960 1.00000
Au2 Au 0.74040 0.74040 0.74040 1.00000
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