UZn2H6Pd
Alexandria ALEXAlex-ID: agm007693716 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_251_spg5
U4H15 Zn2Pd H2
2025-04-29 18:06:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007693716).
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 agm007693716
data_agm007693716
_cell_length_a 4.48349
_cell_length_b 4.25131
_cell_length_c 6.15936
_cell_angle_alpha 110.41786
_cell_angle_beta 85.36472
_cell_angle_gamma 118.59701
_cell_volume 96.07228
_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
U1 U 0.62431 0.07219 0.51556 1.00000
Zn1 Zn 0.93898 0.57994 0.20358 1.00000
Zn2 Zn 0.33285 0.61889 0.87620 1.00000
H1 H 0.41506 0.12705 0.86615 1.00000
H2 H 0.58269 0.46621 0.35041 1.00000
H3 H 0.65878 0.67562 0.68515 1.00000
H4 H 0.69832 0.88186 0.13212 1.00000
H5 H 0.12352 0.54257 0.47089 1.00000
H6 H 0.12297 0.05135 0.46374 1.00000
Pd1 Pd 0.00253 0.98431 0.93621 1.00000
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