Pr3(InHg4)2
Alexandria ALEXAlex-ID: agm003358652 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_139_spg166
PrHg3 PrIn3 Hg
2022-02-03 06:30:15.621169
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003358652).
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 agm003358652
data_agm003358652
_cell_length_a 6.12231
_cell_length_b 6.12231
_cell_length_c 11.85507
_cell_angle_alpha 75.03582
_cell_angle_beta 75.03582
_cell_angle_gamma 60.00000
_cell_volume 367.32363
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.81079 0.81079 0.56762 1.00000
Pr3 Pr 0.18921 0.18921 0.43238 1.00000
In1 In 0.63377 0.63377 0.09868 1.00000
In2 In 0.36623 0.36623 0.90132 1.00000
Hg1 Hg 0.71779 0.71779 0.84663 1.00000
Hg2 Hg 0.28221 0.28221 0.15337 1.00000
Hg3 Hg 0.22584 0.72732 0.31952 1.00000
Hg4 Hg 0.72732 0.22584 0.31952 1.00000
Hg5 Hg 0.72732 0.72732 0.31952 1.00000
Hg6 Hg 0.27268 0.77416 0.68048 1.00000
Hg7 Hg 0.77416 0.27268 0.68048 1.00000
Hg8 Hg 0.27268 0.27268 0.68048 1.00000
Get direct link