Pr8HgRh3I4
Alexandria ALEXAlex-ID: agm004736633 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_65_spg12
Pr2Hg PrI2 Pr2RhI PrHg
2023-02-12 03:23:14.586830
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004736633).
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 agm004736633
data_agm004736633
_cell_length_a 8.59888
_cell_length_b 9.55559
_cell_length_c 8.59715
_cell_angle_alpha 116.74238
_cell_angle_beta 120.00669
_cell_angle_gamma 90.00000
_cell_volume 522.65270
_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 0.24035 0.68882 0.94891 1.00000
Pr2 Pr 0.24020 0.68887 0.48041 1.00000
Pr3 Pr 0.26986 0.31008 0.53971 1.00000
Pr4 Pr 0.70856 0.68882 0.94891 1.00000
Pr5 Pr 0.29144 0.31118 0.05109 1.00000
Pr6 Pr 0.73014 0.68992 0.46029 1.00000
Pr7 Pr 0.75980 0.31113 0.51959 1.00000
Pr8 Pr 0.75965 0.31118 0.05109 1.00000
Hg1 Hg 0.00000 0.50000 0.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.50000 0.50000 0.50000 1.00000
Rh3 Rh 0.00000 0.50000 0.50000 1.00000
I1 I 0.50000 0.00000 0.00000 1.00000
I2 I 0.50000 0.00000 0.50000 1.00000
I3 I 0.00000 0.00000 0.00000 1.00000
I4 I 0.00000 0.00000 0.50000 1.00000
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