TmIn4Ag7
Alexandria ALEXAlex-ID: agm003666847 · 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
AB4C7_85_spg12
In2Ag5 TmInAg2 TmIn3
2022-04-08 14:50:00.277801
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666847).
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 agm003666847
data_agm003666847
_cell_length_a 5.31032
_cell_length_b 9.28294
_cell_length_c 6.19916
_cell_angle_alpha 84.38743
_cell_angle_beta 64.63969
_cell_angle_gamma 73.37983
_cell_volume 264.49662
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.60541 0.22909 0.56009 1.00000
In2 In 0.39459 0.77091 0.43991 1.00000
In3 In 0.73265 0.68194 0.85275 1.00000
In4 In 0.26735 0.31806 0.14725 1.00000
Ag1 Ag 0.78427 0.91743 0.51403 1.00000
Ag2 Ag 0.21573 0.08257 0.48597 1.00000
Ag3 Ag 0.05770 0.64936 0.23523 1.00000
Ag4 Ag 0.94230 0.35064 0.76477 1.00000
Ag5 Ag 0.35505 0.52921 0.76069 1.00000
Ag6 Ag 0.50000 0.00000 0.00000 1.00000
Ag7 Ag 0.64495 0.47079 0.23931 1.00000
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