Pr6CdRh2I3
Alexandria ALEXAlex-ID: agm004635013 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
PrCd Pr4CdRh PrI2 Pr2RhI
2022-06-28 23:29:38.276026
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635013).
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 agm004635013
data_agm004635013
_cell_length_a 7.46941
_cell_length_b 7.46941
_cell_length_c 8.56413
_cell_angle_alpha 98.38147
_cell_angle_beta 98.38147
_cell_angle_gamma 119.97527
_cell_volume 395.93409
_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 0.93387 0.56977 0.80456 1.00000
Pr2 Pr 0.70026 0.70026 0.19304 1.00000
Pr3 Pr 0.06613 0.43023 0.19544 1.00000
Pr4 Pr 0.56977 0.93387 0.80456 1.00000
Pr5 Pr 0.29974 0.29974 0.80696 1.00000
Pr6 Pr 0.43023 0.06613 0.19544 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.33259 0.66741 0.00000 1.00000
Rh2 Rh 0.66741 0.33259 0.00000 1.00000
I1 I 0.16136 0.83864 0.50000 1.00000
I2 I 0.83864 0.16136 0.50000 1.00000
I3 I 0.50000 0.50000 0.50000 1.00000
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