PrMg2(SnAu)2
Alexandria ALEXAlex-ID: agm004549720 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_139_spg166
PrSn2 MgAu
2022-06-22 07:11:08.406710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004549720).
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 agm004549720
data_agm004549720
_cell_length_a 4.63059
_cell_length_b 4.63059
_cell_length_c 9.02432
_cell_angle_alpha 75.13386
_cell_angle_beta 75.13386
_cell_angle_gamma 60.00000
_cell_volume 160.05585
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.13838 0.13838 0.58486 1.00000
Mg2 Mg 0.86162 0.86162 0.41514 1.00000
Sn1 Sn 0.73737 0.73737 0.78790 1.00000
Sn2 Sn 0.26263 0.26263 0.21210 1.00000
Au1 Au 0.55827 0.55827 0.32519 1.00000
Au2 Au 0.44173 0.44173 0.67481 1.00000
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