ThHRh
Alexandria ALEXAlex-ID: agm005676089 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_316_spg36
Th2(H2Rh)3 Th4H15 ThRh
2023-06-17 16:08:19.695787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676089).
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 agm005676089
data_agm005676089
_cell_length_a 4.30013
_cell_length_b 3.89826
_cell_length_c 6.45325
_cell_angle_alpha 107.72328
_cell_angle_beta 89.98810
_cell_angle_gamma 90.03737
_cell_volume 103.04180
_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 0.29594 0.80292 0.36778 1.00000
Th2 Th 0.79597 0.05547 0.87205 1.00000
H1 H 0.56310 0.23035 0.22339 1.00000
H2 H 0.06320 0.62845 0.01640 1.00000
Rh1 Rh 0.81000 0.34412 0.44906 1.00000
Rh2 Rh 0.31000 0.51455 0.79061 1.00000
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