Dy6As5S
Alexandria ALEXAlex-ID: agm006124302 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
Dy6As5S
2023-09-09 22:04:19.500051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124302).
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 agm006124302
data_agm006124302
_cell_length_a 7.08233
_cell_length_b 7.07968
_cell_length_c 7.07579
_cell_angle_alpha 59.98178
_cell_angle_beta 80.41469
_cell_angle_gamma 70.55824
_cell_volume 289.67968
_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
As1 As 0.50000 0.16685 0.66631 1.00000
As2 As 1.00000 0.33323 0.33353 1.00000
As3 As 0.50000 0.50000 0.00000 1.00000
As4 As 0.00000 0.66677 0.66647 1.00000
As5 As 0.50000 0.83315 0.33369 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.75012 0.08330 0.33309 1.00000
Dy2 Dy 0.24988 0.58360 0.33309 1.00000
Dy3 Dy 0.25104 0.24950 0.00000 1.00000
Dy4 Dy 0.74896 0.75050 1.00000 1.00000
Dy5 Dy 0.75012 0.41640 0.66691 1.00000
Dy6 Dy 0.24988 0.91670 0.66691 1.00000
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