TiZn(H4Ru)2
Alexandria ALEXAlex-ID: agm007621644 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_193_spg2
ZnH6Ru TiH4Ru3 Zn2H6Ru TiH2
2025-05-27 08:52:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007621644).
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 agm007621644
data_agm007621644
_cell_length_a 3.04586
_cell_length_b 4.99942
_cell_length_c 6.87215
_cell_angle_alpha 70.56334
_cell_angle_beta 77.22896
_cell_angle_gamma 72.26645
_cell_volume 93.15476
_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
Ti1 Ti 0.50000 0.50000 0.50000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
H1 H 0.17245 0.20275 0.45117 1.00000
H2 H 0.39091 0.05435 0.16316 1.00000
H3 H 0.82755 0.79725 0.54883 1.00000
H4 H 0.73888 0.22992 0.29155 1.00000
H5 H 0.26112 0.77008 0.70845 1.00000
H6 H 0.00815 0.70433 0.27917 1.00000
H7 H 0.99185 0.29567 0.72083 1.00000
H8 H 0.60909 0.94565 0.83684 1.00000
Ru1 Ru 0.20680 0.38645 0.19923 1.00000
Ru2 Ru 0.79320 0.61355 0.80077 1.00000
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