ErZn(H2Ru)4
Alexandria ALEXAlex-ID: agm007016802 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_89_spg160
Zn2H6Ru ErH5Ru Ru
2024-03-16 07:10:54.036131
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007016802).
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 agm007016802
data_agm007016802
_cell_length_a 5.68175
_cell_length_b 5.68175
_cell_length_c 5.68175
_cell_angle_alpha 60.42860
_cell_angle_beta 60.42860
_cell_angle_gamma 60.42860
_cell_volume 130.95403
_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
Er1 Er 0.65211 0.65211 0.65211 1.00000
Zn1 Zn 0.99000 0.99000 0.99000 1.00000
H1 H 0.68800 0.68800 0.23151 1.00000
H2 H 0.68800 0.23151 0.68800 1.00000
H3 H 0.23151 0.68800 0.68800 1.00000
H4 H 0.80017 0.80017 0.80017 1.00000
H5 H 0.24455 0.24455 0.77041 1.00000
H6 H 0.24455 0.77041 0.24455 1.00000
H7 H 0.77041 0.24455 0.24455 1.00000
H8 H 0.23684 0.23684 0.23684 1.00000
Ru1 Ru 0.45483 0.45483 0.45483 1.00000
Ru2 Ru 0.00680 0.00680 0.48541 1.00000
Ru3 Ru 0.00680 0.48541 0.00680 1.00000
Ru4 Ru 0.48541 0.00680 0.00680 1.00000
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