CrPdRhSe4
Alexandria ALEXAlex-ID: agm066044634 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_9_spg74
Pd17Se15 Pd(RhSe2)2 Cr2Se3 RhSe2
2025-03-02 09:15:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066044634).
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
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# CIF generated by HEAS from Alexandria entry agm066044634
data_agm066044634
_cell_length_a 7.37089
_cell_length_b 7.37089
_cell_length_c 7.37089
_cell_angle_alpha 119.50306
_cell_angle_beta 117.84980
_cell_angle_gamma 92.31392
_cell_volume 288.50677
_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
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
Cr2 Cr 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.12299 0.37299 0.75000 1.00000
Pd2 Pd 0.87701 0.62701 0.25000 1.00000
Rh1 Rh 0.50000 0.00000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.27368 0.24602 0.02766 1.00000
Se2 Se 0.28164 0.75398 0.52766 1.00000
Se3 Se 0.71836 0.24602 0.47234 1.00000
Se4 Se 0.72632 0.75398 0.97234 1.00000
Se5 Se 0.25453 0.22623 0.47170 1.00000
Se6 Se 0.25453 0.78283 0.02830 1.00000
Se7 Se 0.74547 0.21717 0.97170 1.00000
Se8 Se 0.74547 0.77377 0.52830 1.00000
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