Dy3SnS2
Alexandria ALEXAlex-ID: agm005803293 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1011_spg74
DySn Dy5S6 Dy10Sn6S
2023-08-25 03:29:25.670171
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803293).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005803293
data_agm005803293
_cell_length_a 8.82084
_cell_length_b 7.82345
_cell_length_c 7.82345
_cell_angle_alpha 54.27229
_cell_angle_beta 55.68490
_cell_angle_gamma 55.68490
_cell_volume 339.12926
_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 0.73006 0.26994 1.00000
Dy2 Dy 1.00000 0.26994 0.73006 1.00000
Dy3 Dy 0.50000 0.76994 0.23006 1.00000
Dy4 Dy 0.50000 0.00000 0.50000 1.00000
Dy5 Dy 0.50000 0.50000 0.00000 1.00000
Dy6 Dy 0.50000 0.23006 0.76994 1.00000
Sn1 Sn 0.19218 0.25000 0.25000 1.00000
Sn2 Sn 0.80782 0.75000 0.75000 1.00000
S1 S 0.26138 0.94246 0.94246 1.00000
S2 S 0.35369 0.44246 0.44246 1.00000
S3 S 0.64631 0.55754 0.55754 1.00000
S4 S 0.73862 0.05754 0.05754 1.00000
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