ZnCrH5Ru2
Alexandria ALEXAlex-ID: agm007129576 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_336_spg36
Zn2H6Ru CrH2Ru Ru
2025-05-26 23:45:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007129576).
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 agm007129576
data_agm007129576
_cell_length_a 2.81363
_cell_length_b 7.22770
_cell_length_c 7.19596
_cell_angle_alpha 89.97073
_cell_angle_beta 78.69036
_cell_angle_gamma 89.94595
_cell_volume 143.49593
_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 0.58864 0.01616 0.82367 1.00000
Zn2 Zn 0.41134 0.51608 0.17654 1.00000
Cr1 Cr 0.71508 0.41498 0.56920 1.00000
Cr2 Cr 0.28515 0.91481 0.43061 1.00000
H1 H 0.41364 0.98516 0.17235 1.00000
H2 H 0.69192 0.80400 0.61494 1.00000
H3 H 0.52070 0.74039 0.96092 1.00000
H4 H 0.24578 0.57325 0.50792 1.00000
H5 H 0.82913 0.77197 0.34340 1.00000
H6 H 0.58617 0.48532 0.82744 1.00000
H7 H 0.30720 0.30367 0.38518 1.00000
H8 H 0.47967 0.24059 0.03922 1.00000
H9 H 0.75392 0.07305 0.49208 1.00000
H10 H 0.17171 0.27208 0.65658 1.00000
Ru1 Ru 0.94803 0.82417 0.10402 1.00000
Ru2 Ru 0.13423 0.69404 0.73003 1.00000
Ru3 Ru 0.05189 0.32426 0.89592 1.00000
Ru4 Ru 0.86580 0.19396 0.26997 1.00000
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