DyGa(H4Ru)2
Alexandria ALEXAlex-ID: agm007450150 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1232_spg2
GaH3Ru DyH5Ru
2025-05-28 04:07:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007450150).
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 agm007450150
data_agm007450150
_cell_length_a 4.74432
_cell_length_b 4.55942
_cell_length_c 8.59829
_cell_angle_alpha 135.20884
_cell_angle_beta 74.07466
_cell_angle_gamma 116.05912
_cell_volume 117.50972
_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
Dy1 Dy 0.38189 0.36200 0.62992 1.00000
Ga1 Ga 0.78030 0.12487 0.07560 1.00000
H1 H 0.90329 0.38168 0.66118 1.00000
H2 H 0.48671 0.18607 0.98308 1.00000
H3 H 0.09614 0.60861 0.31491 1.00000
H4 H 0.14599 0.61678 0.95917 1.00000
H5 H 0.23827 0.10851 0.29842 1.00000
H6 H 0.87020 0.85988 0.63776 1.00000
H7 H 0.58907 0.85756 0.31014 1.00000
H8 H 0.43626 0.94159 0.65746 1.00000
Ru1 Ru 0.31978 0.66369 0.14359 1.00000
Ru2 Ru 0.75209 0.28876 0.82876 1.00000
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