Pr2Ag2Au
Alexandria ALEXAlex-ID: agm003403243 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_33_spg12
PrAg2 PrAu
2022-02-09 16:15:41.232750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403243).
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 agm003403243
data_agm003403243
_cell_length_a 4.20894
_cell_length_b 5.84394
_cell_length_c 11.49256
_cell_angle_alpha 92.09975
_cell_angle_beta 79.44869
_cell_angle_gamma 68.89294
_cell_volume 257.62891
_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
Pr1 Pr 0.66793 0.32790 0.33624 1.00000
Pr2 Pr 0.92744 0.25726 0.88786 1.00000
Pr3 Pr 0.33207 0.67210 0.66376 1.00000
Pr4 Pr 0.07256 0.74274 0.11214 1.00000
Ag1 Ag 0.10441 0.24777 0.54342 1.00000
Ag2 Ag 0.64313 0.82050 0.89323 1.00000
Ag3 Ag 0.89559 0.75223 0.45658 1.00000
Ag4 Ag 0.35687 0.17950 0.10677 1.00000
Au1 Au 0.60540 0.10027 0.68892 1.00000
Au2 Au 0.39460 0.89973 0.31108 1.00000
Get direct link