Cu3H8Ir2Pd
Alexandria ALEXAlex-ID: agm006685508 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_489_spg1
CuH6Ir H4Pd Cu Ir
2024-02-25 00:13:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006685508).
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 agm006685508
data_agm006685508
_cell_length_a 4.63894
_cell_length_b 5.26395
_cell_length_c 4.96783
_cell_angle_alpha 87.31579
_cell_angle_beta 87.13209
_cell_angle_gamma 104.55355
_cell_volume 117.04892
_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
Cu1 Cu 0.53265 0.20492 0.15917 1.00000
Cu2 Cu 0.07265 0.57059 0.92635 1.00000
Cu3 Cu 0.57249 0.48873 0.68354 1.00000
H1 H 0.17116 0.06897 0.58105 1.00000
H2 H 0.90277 0.57975 0.28589 1.00000
H3 H 0.21024 0.31235 0.12367 1.00000
H4 H 0.79717 0.04128 0.34102 1.00000
H5 H 0.25827 0.67913 0.56241 1.00000
H6 H 0.81673 0.26252 0.75020 1.00000
H7 H 0.28270 0.93828 0.95506 1.00000
H8 H 0.73076 0.80872 0.82315 1.00000
Ir1 Ir 0.05116 0.33523 0.43375 1.00000
Ir2 Ir 0.49435 0.97807 0.66946 1.00000
Pd1 Pd 0.59958 0.71681 0.18332 1.00000
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