Tb(H2Ru)4
Alexandria ALEXAlex-ID: agm007338403 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_153_spg12
H8Ru3 TbH5Ru Ru
2024-03-05 23:44:46.161330
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007338403).
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 agm007338403
data_agm007338403
_cell_length_a 5.56529
_cell_length_b 5.56529
_cell_length_c 5.59073
_cell_angle_alpha 61.81196
_cell_angle_beta 61.81196
_cell_angle_gamma 59.14997
_cell_volume 124.82095
_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 0.50000 0.50000 1.00000
H1 H 0.98384 0.55947 0.18858 1.00000
H2 H 0.55947 0.98384 0.18858 1.00000
H3 H 0.38552 0.38552 0.22114 1.00000
H4 H 0.00444 0.00444 0.23204 1.00000
H5 H 0.99556 0.99556 0.76796 1.00000
H6 H 0.61448 0.61448 0.77886 1.00000
H7 H 0.44053 0.01616 0.81142 1.00000
H8 H 0.01616 0.44053 0.81142 1.00000
Ru1 Ru 0.75147 0.24853 0.00000 1.00000
Ru2 Ru 0.24853 0.75147 0.00000 1.00000
Ru3 Ru 0.22814 0.22814 0.06455 1.00000
Ru4 Ru 0.77186 0.77186 0.93545 1.00000
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