Tb3As2(H2Rh)2
Alexandria ALEXAlex-ID: agm006255877 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
Tb2As3Rh4 TbH6Rh TbH3Rh TbAs
2024-05-27 11:23:22.616606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006255877).
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
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# CIF generated by HEAS from Alexandria entry agm006255877
data_agm006255877
_cell_length_a 11.03662
_cell_length_b 11.03662
_cell_length_c 11.03662
_cell_angle_alpha 159.75314
_cell_angle_beta 159.74299
_cell_angle_gamma 28.79374
_cell_volume 160.99512
_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 0.50000 0.00000 0.50000 1.00000
Tb2 Tb 0.32805 0.82805 0.50000 1.00000
Tb3 Tb 0.67195 0.17195 0.50000 1.00000
As1 As 0.19041 0.69041 0.50000 1.00000
As2 As 0.80959 0.30959 0.50000 1.00000
H1 H 0.06962 0.06962 0.00000 1.00000
H2 H 0.56963 0.56963 0.00000 1.00000
H3 H 0.43037 0.43037 0.00000 1.00000
H4 H 0.93038 0.93038 0.00000 1.00000
Rh1 Rh 0.07028 0.57028 0.50000 1.00000
Rh2 Rh 0.92972 0.42972 0.50000 1.00000
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