DyNi2H7Rh2
Alexandria ALEXAlex-ID: agm006455328 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_152_spg44
DyH6Rh NiH DyH3Rh Rh
2024-02-29 05:42:09.461060
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006455328).
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 agm006455328
data_agm006455328
_cell_length_a 7.62085
_cell_length_b 7.62085
_cell_length_c 7.62085
_cell_angle_alpha 151.73145
_cell_angle_beta 151.50777
_cell_angle_gamma 40.56935
_cell_volume 99.79108
_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
Dy1 Dy 0.99548 0.00000 0.99548 1.00000
Ni1 Ni 0.26350 0.74990 0.51360 1.00000
Ni2 Ni 0.76371 0.25010 0.51360 1.00000
H1 H 0.13389 0.62623 0.50766 1.00000
H2 H 0.28115 0.25991 0.02124 1.00000
H3 H 0.39382 0.87950 0.51432 1.00000
H4 H 0.88143 0.37377 0.50766 1.00000
H5 H 0.76133 0.74009 0.02124 1.00000
H6 H 0.63482 0.12050 0.51432 1.00000
H7 H 0.35422 0.50000 0.85422 1.00000
Rh1 Rh 0.62885 0.61068 0.01816 1.00000
Rh2 Rh 0.40748 0.38932 0.01816 1.00000
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