PrGa3Ni
Alexandria ALEXAlex-ID: agm069305093 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_181_spg107
PrGa3Ni
2024-09-14 03:33:07.531703
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069305093).
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 agm069305093
data_agm069305093
_cell_length_a 5.93001
_cell_length_b 5.93001
_cell_length_c 5.93001
_cell_angle_alpha 137.53668
_cell_angle_beta 137.53668
_cell_angle_gamma 61.61335
_cell_volume 93.95536
_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 0.99861 0.99861 0.00000 1.00000
Ga1 Ga 0.75053 0.25053 0.50000 1.00000
Ga2 Ga 0.58431 0.58431 0.00000 1.00000
Ga3 Ga 0.25053 0.75053 0.50000 1.00000
Ni1 Ni 0.35401 0.35401 0.00000 1.00000
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