DyZn2H8Rh
Alexandria ALEXAlex-ID: agm007406458 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2101_spg1
Zn53Rh7 DyH6Rh ZnH2 DyH3
2024-03-26 11:09:33.906251
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007406458).
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 agm007406458
data_agm007406458
_cell_length_a 4.75570
_cell_length_b 5.32436
_cell_length_c 5.30058
_cell_angle_alpha 108.45255
_cell_angle_beta 84.59033
_cell_angle_gamma 111.41004
_cell_volume 118.49553
_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 0.84056 0.20821 0.40614 1.00000
Zn1 Zn 0.42511 0.57840 0.19447 1.00000
Zn2 Zn 0.46778 0.59332 0.72265 1.00000
H1 H 0.82020 0.25245 0.84237 1.00000
H2 H 0.50330 0.81783 0.51031 1.00000
H3 H 0.03126 0.96011 0.06892 1.00000
H4 H 0.19323 0.25803 0.14166 1.00000
H5 H 0.92210 0.67253 0.67704 1.00000
H6 H 0.86565 0.59212 0.27798 1.00000
H7 H 0.31348 0.79376 0.01926 1.00000
H8 H 0.34474 0.25409 0.51910 1.00000
Rh1 Rh 0.93365 0.61292 0.96717 1.00000
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