Pm8HgRh3I4
Alexandria ALEXAlex-ID: agm004736635 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_65_spg12
Pm3RhI3 Pm4HgRh Pm2RhI PmHg
2022-07-10 08:23:03.390367
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004736635).
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 agm004736635
data_agm004736635
_cell_length_a 8.48300
_cell_length_b 9.42677
_cell_length_c 8.47839
_cell_angle_alpha 116.71884
_cell_angle_beta 120.01799
_cell_angle_gamma 90.00000
_cell_volume 501.70483
_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
Pm1 Pm 0.24033 0.68813 0.94816 1.00000
Pm2 Pm 0.24020 0.68822 0.48040 1.00000
Pm3 Pm 0.27027 0.31121 0.54053 1.00000
Pm4 Pm 0.70783 0.68813 0.94816 1.00000
Pm5 Pm 0.29217 0.31187 0.05184 1.00000
Pm6 Pm 0.72973 0.68879 0.45947 1.00000
Pm7 Pm 0.75980 0.31178 0.51960 1.00000
Pm8 Pm 0.75967 0.31187 0.05184 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
Get direct link