HoMn2H7Pd2
Alexandria ALEXAlex-ID: agm006458117 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_89_spg8
Ho(HPd)4 MnH2 Mn4H3 HoMnH5
2024-02-29 03:53:57.777843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006458117).
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 agm006458117
data_agm006458117
_cell_length_a 7.29248
_cell_length_b 7.29248
_cell_length_c 7.29248
_cell_angle_alpha 152.42602
_cell_angle_beta 142.49158
_cell_angle_gamma 47.18153
_cell_volume 108.92422
_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 0.54103 0.50000 0.04103 1.00000
Mn1 Mn 0.16241 0.10700 0.05541 1.00000
Mn2 Mn 0.94841 0.89300 0.05541 1.00000
H1 H 0.52573 0.09495 0.43078 1.00000
H2 H 0.70552 0.75636 0.94916 1.00000
H3 H 0.97899 0.41643 0.56255 1.00000
H4 H 0.33583 0.90505 0.43078 1.00000
H5 H 0.19280 0.24364 0.94916 1.00000
H6 H 0.14612 0.58357 0.56255 1.00000
H7 H 0.83644 0.00000 0.83644 1.00000
Pd1 Pd 0.78507 0.22187 0.56320 1.00000
Pd2 Pd 0.34133 0.77813 0.56320 1.00000
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