Tb2Dy5S8
Alexandria ALEXAlex-ID: agm084302829 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C8_21_spg119
Tb2(DyS2)3 Tb2DyS3 Dy5S6
2025-02-26 04:47:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm084302829).
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 agm084302829
data_agm084302829
_cell_length_a 7.80898
_cell_length_b 7.80898
_cell_length_c 7.80898
_cell_angle_alpha 119.98900
_cell_angle_beta 119.98900
_cell_angle_gamma 90.01906
_cell_volume 336.77581
_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
Tb1 Tb 0.00000 0.50000 0.50000 1.00000
Tb2 Tb 0.50000 0.00000 0.50000 1.00000
Dy1 Dy 0.00000 0.00000 0.50000 1.00000
Dy2 Dy 0.50000 0.50000 0.50000 1.00000
Dy3 Dy 0.00000 0.00000 0.00000 1.00000
Dy4 Dy 0.00000 0.50000 0.00000 1.00000
Dy5 Dy 0.50000 0.00000 0.00000 1.00000
S1 S 0.25042 0.25042 0.50084 1.00000
S2 S 0.74958 0.74958 0.49916 1.00000
S3 S 0.25000 0.75000 0.50000 1.00000
S4 S 0.75000 0.25000 0.50000 1.00000
S5 S 0.25042 0.74958 0.00000 1.00000
S6 S 0.74958 0.25042 0.00000 1.00000
S7 S 0.74937 0.74937 0.00000 1.00000
S8 S 0.25063 0.25063 0.00000 1.00000
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