ZrPdAu4
Alexandria ALEXAlex-ID: agm005752934 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1911_spg12
ZrPd3Au4 ZrAu4
2023-08-05 05:05:12.029153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752934).
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 agm005752934
data_agm005752934
_cell_length_a 5.09838
_cell_length_b 5.09855
_cell_length_c 5.13467
_cell_angle_alpha 78.88900
_cell_angle_beta 78.88910
_cell_angle_gamma 119.42138
_cell_volume 107.43778
_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 0.49815 0.00274 0.00129 1.00000
Pd1 Pd 0.99813 0.50269 0.50130 1.00000
Au1 Au 0.33368 0.16710 0.50130 1.00000
Au2 Au 0.66258 0.83830 0.50129 1.00000
Au3 Au 0.83284 0.66800 0.00134 1.00000
Au4 Au 0.16345 0.33745 0.00127 1.00000
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