Cr4Pd3Rh4
Alexandria ALEXAlex-ID: agm009837166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_23_spg71
Cr3Pd5 Cr CrRh2
2024-03-11 20:01:08.919307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009837166).
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 agm009837166
data_agm009837166
_cell_length_a 8.96091
_cell_length_b 8.96091
_cell_length_c 6.60601
_cell_angle_alpha 71.51316
_cell_angle_beta 71.51316
_cell_angle_gamma 17.50468
_cell_volume 151.11647
_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 0.70288 0.70288 0.97911 1.00000
Cr2 Cr 0.54678 0.54678 0.58473 1.00000
Cr3 Cr 0.29712 0.29712 0.02089 1.00000
Cr4 Cr 0.45322 0.45322 0.41527 1.00000
Pd1 Pd 0.70447 0.70447 0.36955 1.00000
Pd2 Pd 0.29553 0.29553 0.63045 1.00000
Pd3 Pd 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.91731 0.91731 0.75423 1.00000
Rh2 Rh 0.08269 0.08269 0.24577 1.00000
Rh3 Rh 0.86823 0.86823 0.24581 1.00000
Rh4 Rh 0.13177 0.13177 0.75419 1.00000
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