HoCu2H8Ru
Alexandria ALEXAlex-ID: agm007160256 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_186_spg1
CuH4 HoH5Ru Cu
2024-10-22 02:11:01.492043
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007160256).
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 agm007160256
data_agm007160256
_cell_length_a 6.58568
_cell_length_b 6.58568
_cell_length_c 6.58568
_cell_angle_alpha 37.66677
_cell_angle_beta 37.66677
_cell_angle_gamma 37.66677
_cell_volume 95.67970
_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 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.26778 0.26778 0.26778 1.00000
Cu2 Cu 0.73222 0.73222 0.73222 1.00000
H1 H 0.17855 0.17855 0.17855 1.00000
H2 H 0.86893 0.28270 0.66927 1.00000
H3 H 0.82145 0.82145 0.82145 1.00000
H4 H 0.28270 0.66927 0.86893 1.00000
H5 H 0.71730 0.33073 0.13107 1.00000
H6 H 0.66927 0.86893 0.28270 1.00000
H7 H 0.33073 0.13107 0.71730 1.00000
H8 H 0.13107 0.71730 0.33073 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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