AlZnH5Ru2
Alexandria ALEXAlex-ID: agm007129392 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_236_spg36
ZnH6Ru AlRu Zn2H6Ru Ru
2024-05-29 06:40:22.501364
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007129392).
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 agm007129392
data_agm007129392
_cell_length_a 7.57049
_cell_length_b 7.57049
_cell_length_c 6.87826
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 157.35590
_cell_volume 151.77295
_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
Al1 Al 0.79761 0.20239 0.57599 1.00000
Al2 Al 0.20239 0.79761 0.07599 1.00000
Zn1 Zn 0.92179 0.07821 0.00421 1.00000
Zn2 Zn 0.07821 0.92179 0.50421 1.00000
H1 H 0.06946 0.93054 0.01920 1.00000
H2 H 0.80813 0.19187 0.17743 1.00000
H3 H 0.00615 0.99385 0.27452 1.00000
H4 H 0.24450 0.75550 0.36931 1.00000
H5 H 0.65298 0.34702 0.29481 1.00000
H6 H 0.93054 0.06946 0.51920 1.00000
H7 H 0.19187 0.80813 0.67743 1.00000
H8 H 0.99385 0.00615 0.77452 1.00000
H9 H 0.75550 0.24450 0.86931 1.00000
H10 H 0.34702 0.65298 0.79481 1.00000
Ru1 Ru 0.55831 0.44169 0.17502 1.00000
Ru2 Ru 0.34647 0.65353 0.28554 1.00000
Ru3 Ru 0.44169 0.55831 0.67502 1.00000
Ru4 Ru 0.65353 0.34647 0.78554 1.00000
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