GaH7Ru
Alexandria ALEXAlex-ID: agm094962545 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_327_spg7
GaH3Ru H2
2025-05-28 03:33:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm094962545).
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 agm094962545
data_agm094962545
_cell_length_a 5.35125
_cell_length_b 4.64578
_cell_length_c 7.22915
_cell_angle_alpha 91.27816
_cell_angle_beta 90.01207
_cell_angle_gamma 90.01655
_cell_volume 179.67726
_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
Ga1 Ga 0.74770 0.96433 0.66704 1.00000
Ga2 Ga 0.75229 0.46431 0.16704 1.00000
H1 H 0.60345 0.14951 0.41993 1.00000
H2 H 0.89656 0.64960 0.91998 1.00000
H3 H 0.03410 0.91740 0.52351 1.00000
H4 H 0.46590 0.41720 0.02341 1.00000
H5 H 0.73738 0.04114 0.12716 1.00000
H6 H 0.76263 0.54115 0.62717 1.00000
H7 H 0.16442 0.01945 0.23670 1.00000
H8 H 0.33557 0.51919 0.73657 1.00000
H9 H 0.83679 0.22419 0.83149 1.00000
H10 H 0.66322 0.72413 0.33145 1.00000
H11 H 0.50171 0.81676 0.89987 1.00000
H12 H 0.99829 0.31693 0.39995 1.00000
H13 H 0.10358 0.84989 0.19886 1.00000
H14 H 0.39642 0.34965 0.69873 1.00000
Ru1 Ru 0.86561 0.01764 0.33109 1.00000
Ru2 Ru 0.63439 0.51753 0.83107 1.00000
Get direct link