Tm3S13
Alexandria ALEXAlex-ID: agm007809395 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B13_7_spg38
TmS13 Tm2S3
2024-03-18 10:45:04.374634
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007809395).
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 agm007809395
data_agm007809395
_cell_length_a 12.57496
_cell_length_b 5.09725
_cell_length_c 6.72874
_cell_angle_alpha 80.78012
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 425.72527
_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
Tm1 Tm 0.64239 0.99416 0.88439 1.00000
Tm2 Tm 0.00000 0.76709 0.75952 1.00000
Tm3 Tm 0.35761 0.99416 0.88439 1.00000
S1 S 0.73096 0.48646 0.93285 1.00000
S2 S 0.80836 0.58350 0.65179 1.00000
S3 S 0.80943 0.99661 0.61043 1.00000
S4 S 0.00000 0.75147 0.33655 1.00000
S5 S 0.00000 0.22214 0.94003 1.00000
S6 S 0.00000 0.15272 0.25141 1.00000
S7 S 0.26904 0.48646 0.93285 1.00000
S8 S 0.19164 0.58350 0.65179 1.00000
S9 S 0.19057 0.99661 0.61043 1.00000
S10 S 0.50000 0.80539 0.65204 1.00000
S11 S 0.50000 0.77380 0.17056 1.00000
S12 S 0.50000 0.21958 0.60787 1.00000
S13 S 0.50000 0.18629 0.12312 1.00000
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