Dy8ThH4
Alexandria ALEXAlex-ID: agm098084508 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_873_spg1
Dy2Th Dy DyH2
2025-06-15 14:56:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098084508).
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 agm098084508
data_agm098084508
_cell_length_a 3.53551
_cell_length_b 9.69521
_cell_length_c 9.80147
_cell_angle_alpha 120.32956
_cell_angle_beta 89.99996
_cell_angle_gamma 89.99797
_cell_volume 289.98760
_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 0.34611 0.29735 0.37652 1.00000
Dy2 Dy 0.34617 0.98855 0.68381 1.00000
Dy3 Dy 0.34616 0.62245 0.34731 1.00000
Dy4 Dy 0.34611 0.61385 0.00130 1.00000
Dy5 Dy 0.84621 0.29859 0.02272 1.00000
Dy6 Dy 0.84607 0.29630 0.67903 1.00000
Dy7 Dy 0.84615 0.93739 0.33076 1.00000
Dy8 Dy 0.84616 0.64386 0.67660 1.00000
Th1 Th 0.34626 0.96522 0.00940 1.00000
H1 H 0.84624 0.02742 0.86877 1.00000
H2 H 0.84611 0.20004 0.42543 1.00000
H3 H 0.84615 0.62509 0.18478 1.00000
H4 H 0.84612 0.48390 0.39356 1.00000
Get direct link