TmS11
Alexandria ALEXAlex-ID: agm062229329 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB11_146_spg1
TmS13 Tm2S3
2025-01-29 12:16:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062229329).
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 agm062229329
data_agm062229329
_cell_length_a 3.93190
_cell_length_b 7.25944
_cell_length_c 13.06571
_cell_angle_alpha 108.14239
_cell_angle_beta 91.99951
_cell_angle_gamma 94.69459
_cell_volume 352.49191
_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 0.23323 0.72664 0.36379 1.00000
S1 S 0.82694 0.36601 0.23696 1.00000
S2 S 0.67832 0.59242 0.89652 1.00000
S3 S 0.86989 0.12017 0.96076 1.00000
S4 S 0.77522 0.09042 0.56567 1.00000
S5 S 0.48365 0.84617 0.57670 1.00000
S6 S 0.79129 0.01501 0.39904 1.00000
S7 S 0.10203 0.19034 0.11396 1.00000
S8 S 0.52032 0.88247 0.91150 1.00000
S9 S 0.72343 0.61547 0.20166 1.00000
S10 S 0.30266 0.45548 0.79329 1.00000
S11 S 0.69307 0.59939 0.48014 1.00000
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