Pr4YHg2
Alexandria ALEXAlex-ID: agm025972743 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_438_spg2
Y2Hg Pr2Hg Pr
2025-05-18 03:41:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025972743).
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 agm025972743
data_agm025972743
_cell_length_a 6.82591
_cell_length_b 6.82591
_cell_length_c 8.91653
_cell_angle_alpha 81.72035
_cell_angle_beta 98.27965
_cell_angle_gamma 147.61434
_cell_volume 220.00450
_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 0.25647 0.74353 0.33305 1.00000
Pr2 Pr 0.74353 0.25647 0.66695 1.00000
Pr3 Pr 0.87516 0.12484 0.05088 1.00000
Pr4 Pr 0.12484 0.87516 0.94912 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Hg1 Hg 0.44953 0.55047 0.75424 1.00000
Hg2 Hg 0.55047 0.44953 0.24576 1.00000
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