ZnH4Rh
Alexandria ALEXAlex-ID: agm007362049 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_71_spg43
Zn4Rh3 Zn(H2Rh)2 H2
2024-03-26 05:26:06.397005
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007362049).
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 agm007362049
data_agm007362049
_cell_length_a 4.26872
_cell_length_b 4.99788
_cell_length_c 5.16422
_cell_angle_alpha 85.17888
_cell_angle_beta 114.17579
_cell_angle_gamma 101.46049
_cell_volume 98.50880
_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 0.37936 0.04199 0.18802 1.00000
Zn2 Zn 0.69047 0.54175 0.81247 1.00000
H1 H 0.58083 0.81755 0.04683 1.00000
H2 H 0.03867 0.32106 0.95438 1.00000
H3 H 0.70352 0.39985 0.35681 1.00000
H4 H 0.10649 0.09875 0.37459 1.00000
H5 H 0.41416 0.14502 0.84180 1.00000
H6 H 0.06889 0.64482 0.15623 1.00000
H7 H 0.84920 0.89915 0.64593 1.00000
H8 H 0.23172 0.59852 0.62215 1.00000
Rh1 Rh 0.89209 0.74580 0.34927 1.00000
Rh2 Rh 0.04459 0.24574 0.65150 1.00000
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