Pt2RhI8
Alexandria ALEXAlex-ID: agm005980554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_353_spg12
Pt3I8 RhI3 PtI2
2023-09-29 23:32:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005980554).
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 agm005980554
data_agm005980554
_cell_length_a 9.61799
_cell_length_b 7.57996
_cell_length_c 8.48023
_cell_angle_alpha 94.90139
_cell_angle_beta 89.99986
_cell_angle_gamma 129.37814
_cell_volume 474.95758
_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
Pt1 Pt 0.86519 0.73038 0.62128 1.00000
Pt2 Pt 0.13481 0.26962 0.37872 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
I1 I 0.96296 0.29799 0.13328 1.00000
I2 I 0.33504 0.29799 0.13328 1.00000
I3 I 0.03704 0.70201 0.86672 1.00000
I4 I 0.35336 0.70672 0.48222 1.00000
I5 I 0.66496 0.70201 0.86672 1.00000
I6 I 0.90569 0.81139 0.31663 1.00000
I7 I 0.09431 0.18861 0.68337 1.00000
I8 I 0.64664 0.29328 0.51778 1.00000
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