TbTh2(H4Rh)3
Alexandria ALEXAlex-ID: agm006513074 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_427_spg1
TbH3Rh Th4H15 TbH6Rh Th2(H2Rh)3
2024-03-03 17:41:10.271553
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006513074).
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 agm006513074
data_agm006513074
_cell_length_a 4.45037
_cell_length_b 7.58914
_cell_length_c 7.60574
_cell_angle_alpha 131.29970
_cell_angle_beta 105.14081
_cell_angle_gamma 91.11367
_cell_volume 179.65130
_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
Tb1 Tb 0.75407 0.00969 0.91427 1.00000
Th1 Th 0.55277 0.28574 0.54841 1.00000
Th2 Th 0.37764 0.58082 0.16788 1.00000
H1 H 0.39326 0.64371 0.70569 1.00000
H2 H 0.26038 0.14539 0.92597 1.00000
H3 H 0.10653 0.96666 0.17110 1.00000
H4 H 0.84907 0.76922 0.53782 1.00000
H5 H 0.91234 0.64610 0.73322 1.00000
H6 H 0.77551 0.44445 0.96028 1.00000
H7 H 0.63374 0.33524 0.25403 1.00000
H8 H 0.97066 0.83644 0.31332 1.00000
H9 H 0.50297 0.00197 0.59295 1.00000
H10 H 0.11829 0.26992 0.69136 1.00000
H11 H 0.20196 0.33687 0.26003 1.00000
H12 H 0.66784 0.93318 0.17969 1.00000
Rh1 Rh 0.29154 0.78117 0.97665 1.00000
Rh2 Rh 0.00965 0.51560 0.45282 1.00000
Rh3 Rh 0.12177 0.99780 0.61451 1.00000
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