ZnCdH6Ru
Alexandria ALEXAlex-ID: agm007663945 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_125_spg5
CdH4 Zn2H4Ru Ru
2024-03-16 00:59:14.727642
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007663945).
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 agm007663945
data_agm007663945
_cell_length_a 4.68511
_cell_length_b 4.68511
_cell_length_c 5.24654
_cell_angle_alpha 91.55679
_cell_angle_beta 91.55679
_cell_angle_gamma 120.79462
_cell_volume 98.77592
_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
Zn1 Zn 0.18369 0.81631 0.00000 1.00000
Cd1 Cd 0.87817 0.12183 0.50000 1.00000
H1 H 0.79870 0.81100 0.15503 1.00000
H2 H 0.54508 0.83453 0.80692 1.00000
H3 H 0.81077 0.42326 0.82222 1.00000
H4 H 0.18900 0.20130 0.84497 1.00000
H5 H 0.16547 0.45492 0.19308 1.00000
H6 H 0.57674 0.18923 0.17778 1.00000
Ru1 Ru 0.85211 0.14789 0.00000 1.00000
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