HoU(ZnH3)2
Alexandria ALEXAlex-ID: agm007733641 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2165_spg15
HoH3 UH3 Zn
2025-05-27 20:59:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007733641).
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 agm007733641
data_agm007733641
_cell_length_a 6.05698
_cell_length_b 6.05698
_cell_length_c 6.16077
_cell_angle_alpha 79.60413
_cell_angle_beta 100.39587
_cell_angle_gamma 76.47067
_cell_volume 210.20033
_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 0.18899 0.18281 0.25081 1.00000
Ho2 Ho 0.81719 0.81101 0.75081 1.00000
U1 U 0.59592 0.58974 0.25087 1.00000
U2 U 0.41026 0.40408 0.75087 1.00000
Zn1 Zn 0.29973 0.94487 0.83099 1.00000
Zn2 Zn 0.95110 0.29345 0.67060 1.00000
Zn3 Zn 0.70655 0.04890 0.17060 1.00000
Zn4 Zn 0.05513 0.70027 0.33099 1.00000
H1 H 0.91868 0.55402 0.12131 1.00000
H2 H 0.56025 0.91245 0.38053 1.00000
H3 H 0.08755 0.43975 0.88053 1.00000
H4 H 0.44598 0.08132 0.62131 1.00000
H5 H 0.23642 0.83306 0.17071 1.00000
H6 H 0.83919 0.23029 0.33091 1.00000
H7 H 0.76971 0.16081 0.83091 1.00000
H8 H 0.16694 0.76358 0.67071 1.00000
H9 H 0.33174 0.44621 0.38489 1.00000
H10 H 0.45259 0.32538 0.11691 1.00000
H11 H 0.67462 0.54741 0.61691 1.00000
H12 H 0.55379 0.66826 0.88489 1.00000
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