Cu2H7Pd
Alexandria ALEXAlex-ID: agm006198580 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_315_spg12
CuH4 H4Pd Cu
2023-11-05 22:39:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006198580).
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 agm006198580
data_agm006198580
_cell_length_a 4.48859
_cell_length_b 5.61078
_cell_length_c 5.41621
_cell_angle_alpha 115.31420
_cell_angle_beta 53.06935
_cell_angle_gamma 126.56285
_cell_volume 87.06177
_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
H1 H 0.09780 0.51944 0.29528 1.00000
H2 H 0.84864 0.19197 0.69843 1.00000
H3 H 0.48893 0.62754 0.79840 1.00000
H4 H 0.08629 0.08396 0.96432 1.00000
H5 H 0.47380 0.85600 0.49671 1.00000
H6 H 0.45736 0.08386 0.19531 1.00000
H7 H 0.86007 0.62739 0.02915 1.00000
Pd1 Pd 0.97317 0.35570 0.99684 1.00000
Cu1 Cu 0.36955 0.90861 0.85188 1.00000
Cu2 Cu 0.57678 0.80291 0.14185 1.00000
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