LaZn2H8Pd
Alexandria ALEXAlex-ID: agm007232946 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_321_spg12
Zn2Pd LaH3 H2
2025-05-27 09:05:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007232946).
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 agm007232946
data_agm007232946
_cell_length_a 5.14260
_cell_length_b 4.54260
_cell_length_c 7.13060
_cell_angle_alpha 71.65215
_cell_angle_beta 67.75259
_cell_angle_gamma 64.02029
_cell_volume 136.35779
_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
La1 La 0.50000 0.00000 0.50000 1.00000
Zn1 Zn 0.97443 0.39327 0.23932 1.00000
Zn2 Zn 0.02557 0.60673 0.76068 1.00000
H1 H 0.24596 0.72470 0.83370 1.00000
H2 H 0.24405 0.19783 0.83329 1.00000
H3 H 0.67242 0.77032 0.79306 1.00000
H4 H 0.75404 0.27530 0.16630 1.00000
H5 H 0.75595 0.80217 0.16671 1.00000
H6 H 0.32758 0.22968 0.20694 1.00000
H7 H 0.78608 0.35771 0.50011 1.00000
H8 H 0.21392 0.64229 0.49989 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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