Th(Cu3H)4
Alexandria ALEXAlex-ID: agm099599321 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_776_spg1
CuH4 Th4H15 Cu
2025-04-15 15:18:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099599321).
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 agm099599321
data_agm099599321
_cell_length_a 4.23898
_cell_length_b 6.75837
_cell_length_c 6.84367
_cell_angle_alpha 100.08826
_cell_angle_beta 90.44471
_cell_angle_gamma 89.95468
_cell_volume 193.02431
_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
Th1 Th 0.70264 0.11456 0.73413 1.00000
Cu1 Cu 0.20124 0.76601 0.62837 1.00000
Cu2 Cu 0.20787 0.02643 0.37500 1.00000
Cu3 Cu 0.69129 0.69334 0.82567 1.00000
Cu4 Cu 0.68864 0.48081 0.08976 1.00000
Cu5 Cu 0.20845 0.25814 0.11917 1.00000
Cu6 Cu 0.21490 0.39071 0.50977 1.00000
Cu7 Cu 0.69555 0.87239 0.19124 1.00000
Cu8 Cu 0.69202 0.62495 0.45935 1.00000
Cu9 Cu 0.20257 0.49743 0.87370 1.00000
Cu10 Cu 0.70075 0.23350 0.32559 1.00000
Cu11 Cu 0.19227 0.88839 0.99390 1.00000
Cu12 Cu 0.20661 0.65453 0.24581 1.00000
H1 H 0.20336 0.00136 0.78567 1.00000
H2 H 0.94094 0.85128 0.44777 1.00000
H3 H 0.80931 0.45097 0.85248 1.00000
H4 H 0.94160 0.44520 0.29260 1.00000
Get direct link