HoU(CuH3)2
Alexandria ALEXAlex-ID: agm007724231 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_782_spg15
HoH3 UH3 Cu
2024-10-21 22:58:34.849253
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007724231).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007724231
data_agm007724231
_cell_length_a 6.01036
_cell_length_b 6.01036
_cell_length_c 5.57649
_cell_angle_alpha 76.45607
_cell_angle_beta 76.45607
_cell_angle_gamma 97.96288
_cell_volume 186.37132
_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 0.84843 0.15157 0.75000 1.00000
Ho2 Ho 0.15157 0.84843 0.25000 1.00000
U1 U 0.45693 0.54307 0.75000 1.00000
U2 U 0.54307 0.45693 0.25000 1.00000
Cu1 Cu 0.01607 0.31111 0.16300 1.00000
Cu2 Cu 0.68889 0.98393 0.33700 1.00000
Cu3 Cu 0.98393 0.68889 0.83700 1.00000
Cu4 Cu 0.31111 0.01607 0.66300 1.00000
H1 H 0.49337 0.80028 0.97226 1.00000
H2 H 0.19972 0.50663 0.52774 1.00000
H3 H 0.50663 0.19972 0.02774 1.00000
H4 H 0.80028 0.49337 0.47226 1.00000
H5 H 0.16592 0.19480 0.91308 1.00000
H6 H 0.80520 0.83408 0.58692 1.00000
H7 H 0.83408 0.80520 0.08692 1.00000
H8 H 0.19480 0.16592 0.41308 1.00000
H9 H 0.53346 0.23212 0.62334 1.00000
H10 H 0.76788 0.46654 0.87666 1.00000
H11 H 0.46654 0.76788 0.37666 1.00000
H12 H 0.23212 0.53346 0.12334 1.00000
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