Dy2Zn3H10
Alexandria ALEXAlex-ID: agm006288136 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C10_137_spg2
ZnH2 DyH3 Zn
2024-07-09 13:01:52.066472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006288136).
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 agm006288136
data_agm006288136
_cell_length_a 5.84873
_cell_length_b 6.90871
_cell_length_c 8.96308
_cell_angle_alpha 64.51336
_cell_angle_beta 80.74233
_cell_angle_gamma 80.72857
_cell_volume 320.94911
_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 0.73529 0.13802 0.99634 1.00000
Dy2 Dy 0.26471 0.86198 0.00366 1.00000
Dy3 Dy 0.85490 0.72758 0.81199 1.00000
Dy4 Dy 0.14510 0.27242 0.18801 1.00000
Zn1 Zn 0.55228 0.93601 0.36824 1.00000
Zn2 Zn 0.44772 0.06399 0.63176 1.00000
Zn3 Zn 0.60673 0.47828 0.15732 1.00000
Zn4 Zn 0.39327 0.52172 0.84268 1.00000
Zn5 Zn 0.89448 0.59301 0.37881 1.00000
Zn6 Zn 0.10552 0.40699 0.62119 1.00000
H1 H 0.95469 0.78849 0.18617 1.00000
H2 H 0.32045 0.52671 0.22180 1.00000
H3 H 0.04531 0.21151 0.81383 1.00000
H4 H 0.67955 0.47329 0.77820 1.00000
H5 H 0.06152 0.09053 0.07800 1.00000
H6 H 0.41154 0.99668 0.17915 1.00000
H7 H 0.93848 0.90947 0.92200 1.00000
H8 H 0.58846 0.00332 0.82085 1.00000
H9 H 0.60247 0.67360 0.43947 1.00000
H10 H 0.39753 0.32640 0.56053 1.00000
H11 H 0.77225 0.09170 0.25310 1.00000
H12 H 0.22775 0.90830 0.74690 1.00000
H13 H 0.64751 0.74898 0.04436 1.00000
H14 H 0.35249 0.25102 0.95564 1.00000
H15 H 0.19071 0.58788 0.70141 1.00000
H16 H 0.80929 0.41212 0.29859 1.00000
H17 H 0.69162 0.93225 0.57137 1.00000
H18 H 0.30838 0.06775 0.42863 1.00000
H19 H 0.14038 0.59196 0.98415 1.00000
H20 H 0.85962 0.40804 0.01585 1.00000
