ErNi2H7Rh2
Alexandria ALEXAlex-ID: agm006459705 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_385_spg8
ErH6Rh NiH Er(H2Rh)3 ErH3Rh
2024-02-29 05:39:10.861917
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006459705).
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 agm006459705
data_agm006459705
_cell_length_a 7.60698
_cell_length_b 7.60698
_cell_length_c 7.60698
_cell_angle_alpha 151.80161
_cell_angle_beta 151.57454
_cell_angle_gamma 40.46930
_cell_volume 98.81041
_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 0.50503 0.50000 0.00503 1.00000
Ni1 Ni 0.73531 0.24992 0.48540 1.00000
Ni2 Ni 0.23548 0.75008 0.48540 1.00000
H1 H 0.61779 0.12677 0.49103 1.00000
H2 H 0.73851 0.76037 0.97814 1.00000
H3 H 0.86406 0.38051 0.48356 1.00000
H4 H 0.36426 0.87323 0.49103 1.00000
H5 H 0.21777 0.23963 0.97814 1.00000
H6 H 0.10305 0.61949 0.48356 1.00000
H7 H 0.15905 0.00000 0.15905 1.00000
Rh1 Rh 0.08932 0.10933 0.97999 1.00000
Rh2 Rh 0.87066 0.89067 0.97999 1.00000
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