Tb3(SmS2)2
Alexandria ALEXAlex-ID: agm005689248 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_761_spg12
TbSm4S5 Tb4SmS5 Tb
2023-06-29 02:04:32.989832
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689248).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005689248
data_agm005689248
_cell_length_a 3.92599
_cell_length_b 6.80771
_cell_length_c 8.79261
_cell_angle_alpha 74.66132
_cell_angle_beta 77.09972
_cell_angle_gamma 73.24090
_cell_volume 214.23666
_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 0.00000 0.00000 1.00000
Tb2 Tb 0.20366 0.39419 0.19850 1.00000
Tb3 Tb 0.79634 0.60581 0.80150 1.00000
Sm1 Sm 0.59974 0.20012 0.60040 1.00000
Sm2 Sm 0.40026 0.79988 0.39960 1.00000
S1 S 0.80067 0.10126 0.29740 1.00000
S2 S 0.19933 0.89874 0.70260 1.00000
S3 S 0.39709 0.30268 0.90313 1.00000
S4 S 0.60291 0.69732 0.09687 1.00000
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