PrInGa2
Alexandria ALEXAlex-ID: agm005695612 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_549_spg62
PrIn3 PrGa3
2023-07-12 03:08:52.526988
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695612).
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 agm005695612
data_agm005695612
_cell_length_a 4.42230
_cell_length_b 11.64660
_cell_length_c 14.50476
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 747.06530
_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 0.46578 0.69766 1.00000
Pr2 Pr 0.25000 0.96578 0.80234 1.00000
Pr3 Pr 0.25000 0.53422 0.30234 1.00000
Pr4 Pr 0.75000 0.03422 0.19766 1.00000
Pr5 Pr 0.75000 0.24602 0.95404 1.00000
Pr6 Pr 0.25000 0.74602 0.54596 1.00000
Pr7 Pr 0.25000 0.75398 0.04596 1.00000
Pr8 Pr 0.75000 0.25398 0.45404 1.00000
In1 In 0.75000 0.55651 0.93922 1.00000
In2 In 0.25000 0.05651 0.56078 1.00000
In3 In 0.25000 0.44349 0.06078 1.00000
In4 In 0.75000 0.94349 0.43922 1.00000
In5 In 0.75000 0.32911 0.20994 1.00000
In6 In 0.25000 0.82911 0.29006 1.00000
In7 In 0.25000 0.67089 0.79006 1.00000
In8 In 0.75000 0.17089 0.70994 1.00000
Ga1 Ga 0.75000 0.97968 0.96018 1.00000
Ga2 Ga 0.25000 0.47968 0.53982 1.00000
Ga3 Ga 0.25000 0.02032 0.03982 1.00000
Ga4 Ga 0.75000 0.52032 0.46018 1.00000
Ga5 Ga 0.75000 0.78587 0.88418 1.00000
Ga6 Ga 0.25000 0.28587 0.61582 1.00000
Ga7 Ga 0.25000 0.21413 0.11582 1.00000
Ga8 Ga 0.75000 0.71413 0.38418 1.00000
Ga9 Ga 0.75000 0.74491 0.69686 1.00000
Ga10 Ga 0.25000 0.24491 0.80314 1.00000
Ga11 Ga 0.25000 0.25509 0.30314 1.00000
Ga12 Ga 0.75000 0.75509 0.19686 1.00000
Ga13 Ga 0.75000 0.94569 0.63948 1.00000
Ga14 Ga 0.25000 0.44569 0.86052 1.00000
Ga15 Ga 0.25000 0.05431 0.36052 1.00000
Ga16 Ga 0.75000 0.55431 0.13948 1.00000
