HfGa(H4Ru)2
Alexandria ALEXAlex-ID: agm007621407 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
HfH3Ru GaH3Ru H2
2025-05-27 07:35:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007621407).
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
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# CIF generated by HEAS from Alexandria entry agm007621407
data_agm007621407
_cell_length_a 4.73798
_cell_length_b 3.53762
_cell_length_c 6.46565
_cell_angle_alpha 89.96355
_cell_angle_beta 103.24035
_cell_angle_gamma 111.93466
_cell_volume 97.42098
_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
Hf1 Hf 0.00062 0.50986 0.49943 1.00000
Ga1 Ga 0.99937 0.75316 0.99956 1.00000
H1 H 0.30725 0.15760 0.52529 1.00000
H2 H 0.76194 0.37632 0.74188 1.00000
H3 H 0.69249 0.85008 0.47499 1.00000
H4 H 0.42867 0.72716 0.74660 1.00000
H5 H 0.57127 0.29812 0.25386 1.00000
H6 H 0.01112 0.10317 0.75685 1.00000
H7 H 0.99029 0.08770 0.24539 1.00000
H8 H 0.23688 0.61092 0.25588 1.00000
Ru1 Ru 0.39356 0.21000 0.79059 1.00000
Ru2 Ru 0.60653 0.81590 0.20969 1.00000
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