Dy3Sb3H2
Alexandria ALEXAlex-ID: agm006357073 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_13_spg12
DySb DyH3 Sb
2024-02-24 03:31:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006357073).
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 agm006357073
data_agm006357073
_cell_length_a 9.56996
_cell_length_b 9.56996
_cell_length_c 5.24676
_cell_angle_alpha 81.72090
_cell_angle_beta 81.72090
_cell_angle_gamma 22.02230
_cell_volume 178.23008
_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 0.32584 0.32584 0.58331 1.00000
Dy2 Dy 0.67416 0.67416 0.41669 1.00000
Dy3 Dy 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.83644 0.83644 0.07273 1.00000
Sb2 Sb 0.50000 0.50000 0.50000 1.00000
Sb3 Sb 0.16356 0.16356 0.92727 1.00000
H1 H 0.23373 0.23373 0.38874 1.00000
H2 H 0.76627 0.76627 0.61126 1.00000
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