PrZnGa3
Alexandria ALEXAlex-ID: agm005807710 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
PrGa6 PrGa3 Pr(ZnGa)2
2023-07-06 06:20:06.913137
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807710).
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 agm005807710
data_agm005807710
_cell_length_a 4.32240
_cell_length_b 4.32226
_cell_length_c 6.14793
_cell_angle_alpha 69.32845
_cell_angle_beta 69.32982
_cell_angle_gamma 89.87050
_cell_volume 99.55961
_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 0.40074 0.20418 0.90383 1.00000
Zn1 Zn 0.01922 0.82258 0.66690 1.00000
Ga1 Ga 0.64849 0.95344 0.40724 1.00000
Ga2 Ga 0.14976 0.45188 0.40731 1.00000
Ga3 Ga 0.78955 0.59310 0.12584 1.00000
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