TlNi(H4Ru)2
Alexandria ALEXAlex-ID: agm007476876 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_532_spg2
NiH4 TlH3 Ru H8Ru3
2024-03-05 23:36:44.047648
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007476876).
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 agm007476876
data_agm007476876
_cell_length_a 2.91621
_cell_length_b 7.00391
_cell_length_c 5.85150
_cell_angle_alpha 109.33323
_cell_angle_beta 104.42587
_cell_angle_gamma 90.04118
_cell_volume 108.76723
_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 0.00010 0.99978 0.00021 1.00000
Ni1 Ni 0.99993 0.50023 0.99988 1.00000
H1 H 0.43690 0.35026 0.87318 1.00000
H2 H 0.14500 0.46281 0.28881 1.00000
H3 H 0.56307 0.65003 0.12677 1.00000
H4 H 0.85484 0.53713 0.71088 1.00000
H5 H 0.71310 0.86999 0.42376 1.00000
H6 H 0.28716 0.13008 0.57675 1.00000
H7 H 0.27660 0.78494 0.55159 1.00000
H8 H 0.72340 0.21488 0.44840 1.00000
Ru1 Ru 0.71365 0.64300 0.42579 1.00000
Ru2 Ru 0.28624 0.35687 0.57399 1.00000
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