Cr2HPd6Rh
Alexandria ALEXAlex-ID: agm007268737 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_392_spg2
CrRh3 CrPd3 HPd
2024-03-26 11:41:42.732839
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007268737).
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 agm007268737
data_agm007268737
_cell_length_a 4.86473
_cell_length_b 4.77134
_cell_length_c 6.26500
_cell_angle_alpha 82.98413
_cell_angle_beta 75.07067
_cell_angle_gamma 81.06896
_cell_volume 138.29138
_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 0.22260 0.46187 0.10953 1.00000
Cr2 Cr 0.79440 0.58558 0.87276 1.00000
H1 H 0.43528 0.34211 0.56668 1.00000
Pd1 Pd 0.33898 0.69004 0.67093 1.00000
Pd2 Pd 0.45019 0.89791 0.21015 1.00000
Pd3 Pd 0.10313 0.23940 0.55262 1.00000
Pd4 Pd 0.89682 0.79300 0.43346 1.00000
Pd5 Pd 0.56256 0.13363 0.78955 1.00000
Pd6 Pd 0.68735 0.35186 0.29827 1.00000
Rh1 Rh 0.00870 0.00459 0.99604 1.00000
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