CePrGa2
Alexandria ALEXAlex-ID: agm005660197 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_537_spg63
CePrGa2
2023-07-12 01:52:04.858698
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005660197).
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 agm005660197
data_agm005660197
_cell_length_a 4.53987
_cell_length_b 4.10159
_cell_length_c 10.81111
_cell_angle_alpha 100.89905
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 197.67901
_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
Ce1 Ce 0.75000 0.45347 0.41100 1.00000
Ce2 Ce 0.25000 0.54653 0.58900 1.00000
Pr1 Pr 0.75000 0.80913 0.12000 1.00000
Pr2 Pr 0.25000 0.19087 0.88000 1.00000
Ga1 Ga 0.75000 0.65618 0.81004 1.00000
Ga2 Ga 0.25000 0.34382 0.18996 1.00000
Ga3 Ga 0.75000 0.07793 0.65339 1.00000
Ga4 Ga 0.25000 0.92207 0.34661 1.00000
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