Pr2Y3Ga4
Alexandria ALEXAlex-ID: agm005681065 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_99_spg14
Pr2Y3Ga4
2023-06-27 01:58:51.858348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681065).
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 agm005681065
data_agm005681065
_cell_length_a 7.67305
_cell_length_b 8.02658
_cell_length_c 8.05300
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.79443
_cell_volume 474.81640
_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 0.57681 0.19248 0.31930 1.00000
Pr2 Pr 0.92319 0.80752 0.81930 1.00000
Pr3 Pr 0.42319 0.80752 0.68070 1.00000
Pr4 Pr 0.07681 0.19248 0.18070 1.00000
Y1 Y 0.00000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Y3 Y 0.75105 0.24124 0.82442 1.00000
Y4 Y 0.74895 0.75876 0.32442 1.00000
Y5 Y 0.24895 0.75876 0.17558 1.00000
Y6 Y 0.25105 0.24124 0.67558 1.00000
Ga1 Ga 0.87014 0.08108 0.52967 1.00000
Ga2 Ga 0.62986 0.91892 0.02967 1.00000
Ga3 Ga 0.12986 0.91892 0.47033 1.00000
Ga4 Ga 0.37014 0.08108 0.97033 1.00000
Ga5 Ga 0.87794 0.49481 0.11840 1.00000
Ga6 Ga 0.62206 0.50519 0.61840 1.00000
Ga7 Ga 0.12206 0.50519 0.88160 1.00000
Ga8 Ga 0.37794 0.49481 0.38160 1.00000
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