Zn2H6Rh
Alexandria ALEXAlex-ID: agm005778229 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2524_spg166
Zn2Rh H2
2023-07-07 09:39:56.369612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778229).
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 agm005778229
data_agm005778229
_cell_length_a 5.04799
_cell_length_b 4.69054
_cell_length_c 7.06087
_cell_angle_alpha 90.00000
_cell_angle_beta 82.68993
_cell_angle_gamma 90.00000
_cell_volume 165.82688
_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 0.72398 0.50024 0.62148 1.00000
Zn2 Zn 0.77602 0.00024 0.87852 1.00000
Zn3 Zn 0.22398 0.99976 0.12148 1.00000
Zn4 Zn 0.27602 0.49976 0.37852 1.00000
H1 H 0.93089 0.99188 0.27224 1.00000
H2 H 0.72711 0.79617 0.48064 1.00000
H3 H 0.76179 0.71612 0.02920 1.00000
H4 H 0.73821 0.21612 0.47080 1.00000
H5 H 0.77289 0.29617 0.01936 1.00000
H6 H 0.56911 0.49188 0.22776 1.00000
H7 H 0.06911 0.00812 0.72776 1.00000
H8 H 0.27289 0.20383 0.51936 1.00000
H9 H 0.23821 0.28388 0.97080 1.00000
H10 H 0.26179 0.78388 0.52920 1.00000
H11 H 0.22711 0.70383 0.98064 1.00000
H12 H 0.43089 0.50812 0.77224 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.00000 0.00000 0.50000 1.00000
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