Pr2Zn3Ga
Alexandria ALEXAlex-ID: agm018183641 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5432_spg2
PrZnGa PrZn2
2025-01-19 13:49:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018183641).
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 agm018183641
data_agm018183641
_cell_length_a 9.09427
_cell_length_b 8.73523
_cell_length_c 5.91749
_cell_angle_alpha 73.93119
_cell_angle_beta 67.36751
_cell_angle_gamma 38.70130
_cell_volume 271.06743
_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 0.75000 0.75000 0.75000 1.00000
Pr2 Pr 0.74186 0.25814 0.25814 1.00000
Pr3 Pr 0.25000 0.25000 0.25000 1.00000
Pr4 Pr 0.25814 0.74186 0.74186 1.00000
Zn1 Zn 0.33022 0.83603 0.16397 1.00000
Zn2 Zn 0.16397 0.66978 0.33022 1.00000
Zn3 Zn 0.66978 0.16397 0.83603 1.00000
Zn4 Zn 0.83603 0.33022 0.66978 1.00000
Zn5 Zn 0.66726 0.66726 0.33274 1.00000
Zn6 Zn 0.33274 0.33274 0.66726 1.00000
Ga1 Ga 0.16504 0.16504 0.83496 1.00000
Ga2 Ga 0.83496 0.83496 0.16504 1.00000
Get direct link