Tb(H3Ru)2
Alexandria ALEXAlex-ID: agm003504841 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_907_spg12
H8Ru3 TbH5Ru Ru
2022-02-24 21:05:26.818031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003504841).
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 agm003504841
data_agm003504841
_cell_length_a 3.62469
_cell_length_b 4.48646
_cell_length_c 5.96333
_cell_angle_alpha 72.47884
_cell_angle_beta 72.30710
_cell_angle_gamma 66.17410
_cell_volume 82.72774
_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 0.00000 0.50000 0.50000 1.00000
H1 H 0.70613 0.72984 0.85791 1.00000
H2 H 0.29387 0.27016 0.14209 1.00000
H3 H 0.98522 0.86739 0.16217 1.00000
H4 H 0.30354 0.81963 0.57329 1.00000
H5 H 0.01478 0.13261 0.83783 1.00000
H6 H 0.69646 0.18037 0.42671 1.00000
Ru1 Ru 0.20477 0.71718 0.87328 1.00000
Ru2 Ru 0.79523 0.28282 0.12672 1.00000
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