Y3Tm2S5
Alexandria ALEXAlex-ID: agm044671520 · 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
A2B3C5_199_spg12
Y4TmS5 YTm2S3
2024-12-09 19:20:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044671520).
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
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# CIF generated by HEAS from Alexandria entry agm044671520
data_agm044671520
_cell_length_a 6.75459
_cell_length_b 6.75459
_cell_length_c 9.54980
_cell_angle_alpha 61.64952
_cell_angle_beta 118.35048
_cell_angle_gamma 146.71998
_cell_volume 207.65473
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.60061 0.39939 0.39774 1.00000
Y3 Y 0.39939 0.60061 0.60226 1.00000
Tm1 Tm 0.80115 0.19885 0.20170 1.00000
Tm2 Tm 0.19885 0.80115 0.79830 1.00000
S1 S 0.00000 0.00000 0.50000 1.00000
S2 S 0.60463 0.39537 0.90203 1.00000
S3 S 0.39537 0.60463 0.09797 1.00000
S4 S 0.20297 0.79703 0.29791 1.00000
S5 S 0.79703 0.20297 0.70209 1.00000
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