HoH4Pd
Alexandria ALEXAlex-ID: agm095437889 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_92_spg11
HoH4Pd3 HoH11 HoH3
2025-05-26 23:14:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095437889).
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 agm095437889
data_agm095437889
_cell_length_a 4.19990
_cell_length_b 4.65628
_cell_length_c 6.24995
_cell_angle_alpha 109.50684
_cell_angle_beta 94.40574
_cell_angle_gamma 90.63230
_cell_volume 114.78000
_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
Ho1 Ho 0.80040 0.83063 0.68007 1.00000
Ho2 Ho 0.19960 0.16937 0.31993 1.00000
H1 H 0.65527 0.41953 0.35067 1.00000
H2 H 0.34473 0.58047 0.64933 1.00000
H3 H 0.34375 0.05617 0.67141 1.00000
H4 H 0.65625 0.94383 0.32859 1.00000
H5 H 0.02793 0.74777 0.00016 1.00000
H6 H 0.97207 0.25223 0.99984 1.00000
H7 H 0.88400 0.29413 0.60633 1.00000
H8 H 0.11600 0.70587 0.39367 1.00000
Pd1 Pd 0.22181 0.40666 0.83455 1.00000
Pd2 Pd 0.77819 0.59334 0.16545 1.00000
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