Pr3(MgAu2)2
Alexandria ALEXAlex-ID: agm005648052 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_664_spg12
PrMgAu PrMgAu2 PrAu
2023-06-27 09:56:03.544562
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648052).
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 agm005648052
data_agm005648052
_cell_length_a 4.68627
_cell_length_b 6.26084
_cell_length_c 8.57468
_cell_angle_alpha 73.90381
_cell_angle_beta 74.14152
_cell_angle_gamma 68.02188
_cell_volume 220.05841
_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 0.36399 0.57573 0.69630 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.63601 0.42427 0.30370 1.00000
Mg1 Mg 0.33108 0.99705 0.34079 1.00000
Mg2 Mg 0.66892 0.00295 0.65921 1.00000
Au1 Au 0.28449 0.36123 0.06978 1.00000
Au2 Au 0.71551 0.63877 0.93022 1.00000
Au3 Au 0.07395 0.25245 0.59966 1.00000
Au4 Au 0.92605 0.74755 0.40034 1.00000
Get direct link