U12Ge5H2
Alexandria ALEXAlex-ID: agm005683239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_81_spg12
U2Ge U UH3
2023-06-28 22:34:42.493078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683239).
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 agm005683239
data_agm005683239
_cell_length_a 8.17679
_cell_length_b 8.17679
_cell_length_c 7.89472
_cell_angle_alpha 85.80892
_cell_angle_beta 85.80892
_cell_angle_gamma 42.51076
_cell_volume 355.57818
_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
U1 U 0.01288 0.01288 0.15281 1.00000
U2 U 0.57988 0.13088 0.88467 1.00000
U3 U 0.13088 0.57988 0.88467 1.00000
U4 U 0.57997 0.09088 0.54835 1.00000
U5 U 0.09088 0.57997 0.54835 1.00000
U6 U 0.51124 0.51124 0.65271 1.00000
U7 U 0.48876 0.48876 0.34729 1.00000
U8 U 0.42003 0.90912 0.45165 1.00000
U9 U 0.90912 0.42003 0.45165 1.00000
U10 U 0.42012 0.86912 0.11533 1.00000
U11 U 0.86912 0.42012 0.11533 1.00000
U12 U 0.98712 0.98712 0.84719 1.00000
Ge1 Ge 0.18684 0.18684 0.78011 1.00000
Ge2 Ge 0.30222 0.30222 0.21977 1.00000
Ge3 Ge 0.00000 0.00000 0.50000 1.00000
Ge4 Ge 0.69778 0.69778 0.78023 1.00000
Ge5 Ge 0.81316 0.81316 0.21989 1.00000
H1 H 0.32152 0.67848 0.00000 1.00000
H2 H 0.67848 0.32152 0.00000 1.00000
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