Co2CuH8Pd3
Alexandria ALEXAlex-ID: agm006664367 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_724_spg8
H4Pd CoH Cu HPd
2024-03-26 07:48:59.836482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006664367).
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 agm006664367
data_agm006664367
_cell_length_a 5.50637
_cell_length_b 5.50637
_cell_length_c 5.19556
_cell_angle_alpha 67.16888
_cell_angle_beta 67.16888
_cell_angle_gamma 57.56996
_cell_volume 119.22218
_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
Co1 Co 0.99827 0.99827 0.41092 1.00000
Co2 Co 0.48486 0.48486 0.49787 1.00000
Cu1 Cu 0.99633 0.99633 0.90715 1.00000
H1 H 0.18828 0.18828 0.26357 1.00000
H2 H 0.68859 0.68859 0.74776 1.00000
H3 H 0.30021 0.30021 0.64652 1.00000
H4 H 0.32920 0.76584 0.22834 1.00000
H5 H 0.76584 0.32920 0.22834 1.00000
H6 H 0.17986 0.72738 0.67935 1.00000
H7 H 0.72738 0.17986 0.67935 1.00000
H8 H 0.87110 0.87110 0.26687 1.00000
Pd1 Pd 0.98384 0.48336 0.47229 1.00000
Pd2 Pd 0.48336 0.98384 0.47229 1.00000
Pd3 Pd 0.49585 0.49585 0.99149 1.00000
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