Tm4TcAg
Alexandria ALEXAlex-ID: agm005806865 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1160_spg15
Tm3Tc TmAg
2023-07-31 12:33:26.011640
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806865).
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 agm005806865
data_agm005806865
_cell_length_a 6.22970
_cell_length_b 7.44136
_cell_length_c 7.44169
_cell_angle_alpha 112.28947
_cell_angle_beta 98.64083
_cell_angle_gamma 98.64511
_cell_volume 307.36797
_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 0.90771 0.63582 0.79171 1.00000
Tm2 Tm 0.04175 0.92967 0.27645 1.00000
Tm3 Tm 0.59228 0.20821 0.36416 1.00000
Tm4 Tm 0.45818 0.72349 0.07024 1.00000
Tm5 Tm 0.54182 0.27651 0.92976 1.00000
Tm6 Tm 0.40772 0.79179 0.63584 1.00000
Tm7 Tm 0.95825 0.07033 0.72355 1.00000
Tm8 Tm 0.09229 0.36418 0.20829 1.00000
Tc1 Tc 0.24996 0.99943 0.00057 1.00000
Tc2 Tc 0.75004 0.00057 0.99943 1.00000
Ag1 Ag 0.74993 0.62727 0.37275 1.00000
Ag2 Ag 0.25007 0.37273 0.62725 1.00000
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