Pa2Ga3Ag
Alexandria ALEXAlex-ID: agm041556757 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1900_spg8
Pa7Ga PaGa3 Ag
2025-04-15 05:36:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041556757).
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 agm041556757
data_agm041556757
_cell_length_a 5.39815
_cell_length_b 5.39815
_cell_length_c 5.39572
_cell_angle_alpha 63.91169
_cell_angle_beta 116.08831
_cell_angle_gamma 116.17693
_cell_volume 120.69437
_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
Pa1 Pa 0.60471 0.39529 0.39570 1.00000
Pa2 Pa 0.39529 0.60471 0.60430 1.00000
Ga1 Ga 0.00000 0.50000 0.00000 1.00000
Ga2 Ga 0.00000 0.00000 0.50000 1.00000
Ga3 Ga 0.50000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Get direct link