Dy(Y2H5)2
Alexandria ALEXAlex-ID: agm006513293 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_58_spg166
DyY3H8 YH2
2024-05-02 20:02:24.363210
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006513293).
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 agm006513293
data_agm006513293
_cell_length_a 15.07619
_cell_length_b 15.07619
_cell_length_c 15.07619
_cell_angle_alpha 14.01173
_cell_angle_beta 14.01173
_cell_angle_gamma 14.01173
_cell_volume 174.83468
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.39987 0.39987 0.39987 1.00000
Y2 Y 0.79996 0.79996 0.79996 1.00000
Y3 Y 0.20004 0.20004 0.20004 1.00000
Y4 Y 0.60013 0.60013 0.60013 1.00000
H1 H 0.94989 0.94989 0.94989 1.00000
H2 H 0.14975 0.14975 0.14975 1.00000
H3 H 0.54983 0.54983 0.54983 1.00000
H4 H 0.34960 0.34960 0.34960 1.00000
H5 H 0.74969 0.74969 0.74969 1.00000
H6 H 0.65040 0.65040 0.65040 1.00000
H7 H 0.85025 0.85025 0.85025 1.00000
H8 H 0.25031 0.25031 0.25031 1.00000
H9 H 0.05011 0.05011 0.05011 1.00000
H10 H 0.45017 0.45017 0.45017 1.00000
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