Pr2ZnGa3
Alexandria ALEXAlex-ID: agm012467226 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_139_spg8
PrZnGa PrGa2
2024-12-24 03:03:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012467226).
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 agm012467226
data_agm012467226
_cell_length_a 5.96417
_cell_length_b 5.96417
_cell_length_c 5.96417
_cell_angle_alpha 136.16201
_cell_angle_beta 99.45611
_cell_angle_gamma 96.56941
_cell_volume 136.26243
_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 0.75106 0.25085 0.50021 1.00000
Pr2 Pr 0.24937 0.74915 0.50021 1.00000
Zn1 Zn 0.16913 0.00000 0.16913 1.00000
Ga1 Ga 0.83485 0.00000 0.83485 1.00000
Ga2 Ga 0.33180 0.50000 0.83180 1.00000
Ga3 Ga 0.66442 0.50000 0.16442 1.00000
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