Pr2GaAg3
Alexandria ALEXAlex-ID: agm014577972 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4510_spg12
PrGaAg PrAg2
2025-04-14 01:14:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014577972).
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 agm014577972
data_agm014577972
_cell_length_a 5.91712
_cell_length_b 5.91712
_cell_length_c 7.24893
_cell_angle_alpha 53.36082
_cell_angle_beta 126.63918
_cell_angle_gamma 132.66172
_cell_volume 141.57842
_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 0.46832 0.53168 0.71526 1.00000
Pr2 Pr 0.53363 0.46637 0.28462 1.00000
Ga1 Ga 0.82870 0.17130 0.87636 1.00000
Ag1 Ag 0.15384 0.84616 0.11665 1.00000
Ag2 Ag 0.17516 0.82484 0.71557 1.00000
Ag3 Ag 0.83837 0.16163 0.29154 1.00000
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