DyU(TlS2)2
Alexandria ALEXAlex-ID: agm004829338 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
U(TlS)4 U2S3 DyTlS2 Tl
2023-01-30 16:16:53.504904
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004829338).
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 agm004829338
data_agm004829338
_cell_length_a 4.03530
_cell_length_b 6.97568
_cell_length_c 7.93821
_cell_angle_alpha 107.05725
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 213.62282
_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 0.00000 0.00000 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
Tl1 Tl 0.50000 0.00000 0.50000 1.00000
Tl2 Tl 0.00000 0.50000 0.50000 1.00000
S1 S 0.50000 0.23164 0.19608 1.00000
S2 S 0.50000 0.76836 0.80392 1.00000
S3 S 0.00000 0.26882 0.80407 1.00000
S4 S 0.00000 0.73118 0.19593 1.00000
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