TlGe(H4Ru)2
Alexandria ALEXAlex-ID: agm007474823 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_413_spg12
TlH4 H2 Ge3Ru2 H8Ru3
2025-05-28 04:54:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007474823).
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 agm007474823
data_agm007474823
_cell_length_a 4.35208
_cell_length_b 4.35616
_cell_length_c 7.50673
_cell_angle_alpha 74.26129
_cell_angle_beta 74.38399
_cell_angle_gamma 63.27654
_cell_volume 120.54140
_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
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
H1 H 0.94057 0.50148 0.71907 1.00000
H2 H 0.52100 0.52023 0.13213 1.00000
H3 H 0.05943 0.49852 0.28093 1.00000
H4 H 0.47900 0.47977 0.86787 1.00000
H5 H 0.50315 0.05719 0.28017 1.00000
H6 H 0.49685 0.94281 0.71983 1.00000
H7 H 0.07734 0.07506 0.23814 1.00000
H8 H 0.92266 0.92494 0.76186 1.00000
Ru1 Ru 0.30091 0.29974 0.10600 1.00000
Ru2 Ru 0.69909 0.70026 0.89400 1.00000
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