Pr2Ga3Hg
Alexandria ALEXAlex-ID: agm003428080 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_132_spg69
PrHg2 PrGa2
2022-02-13 04:36:01.156302
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428080).
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 agm003428080
data_agm003428080
_cell_length_a 6.07872
_cell_length_b 6.07872
_cell_length_c 8.83330
_cell_angle_alpha 107.99167
_cell_angle_beta 107.99167
_cell_angle_gamma 95.87192
_cell_volume 288.11887
_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 0.25000 0.75000 0.50000 1.00000
Pr2 Pr 0.74674 0.74674 0.00000 1.00000
Pr3 Pr 0.75000 0.25000 0.50000 1.00000
Pr4 Pr 0.25326 0.25326 1.00000 1.00000
Ga1 Ga 0.32277 0.83839 0.16116 1.00000
Ga2 Ga 0.16161 0.67723 0.83884 1.00000
Ga3 Ga 0.67723 0.16161 0.83884 1.00000
Ga4 Ga 0.83839 0.32277 0.16116 1.00000
Ga5 Ga 0.16139 0.16139 0.32279 1.00000
Ga6 Ga 0.83861 0.83861 0.67721 1.00000
Hg1 Hg 0.66718 0.66718 0.33437 1.00000
Hg2 Hg 0.33282 0.33282 0.66563 1.00000
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