In6Pd3Rh
Alexandria ALEXAlex-ID: agm003580717 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_272_spg14
In4Pd2Rh In3Rh In3Pd2
2022-04-01 06:19:39.709612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003580717).
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 agm003580717
data_agm003580717
_cell_length_a 7.44976
_cell_length_b 6.45737
_cell_length_c 8.98103
_cell_angle_alpha 90.00000
_cell_angle_beta 81.47027
_cell_angle_gamma 90.00000
_cell_volume 427.26112
_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
In1 In 0.67470 0.12942 0.94115 1.00000
In2 In 0.65223 0.15807 0.59637 1.00000
In3 In 0.70139 0.52409 0.23014 1.00000
In4 In 0.29861 0.47591 0.76986 1.00000
In5 In 0.34777 0.84193 0.40363 1.00000
In6 In 0.32530 0.87058 0.05885 1.00000
In7 In 0.17470 0.37058 0.44115 1.00000
In8 In 0.15223 0.34193 0.09637 1.00000
In9 In 0.20139 0.97591 0.73014 1.00000
In10 In 0.79861 0.02409 0.26986 1.00000
In11 In 0.84777 0.65807 0.90363 1.00000
In12 In 0.82530 0.62942 0.55885 1.00000
Pd1 Pd 0.53587 0.81193 0.76333 1.00000
Pd2 Pd 0.50000 0.50000 0.00000 1.00000
Pd3 Pd 0.46413 0.18807 0.23667 1.00000
Pd4 Pd 0.03587 0.68807 0.26333 1.00000
Pd5 Pd 0.00000 0.00000 0.50000 1.00000
Pd6 Pd 0.96413 0.31193 0.73667 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
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