Mn2TlSb2
Alexandria ALEXAlex-ID: agm002161908 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_217_spg108
Tl5Sb Mn MnSb
2018-06-06 17:21:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002161908).
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 agm002161908
data_agm002161908
_cell_length_a 6.54210
_cell_length_b 6.48698
_cell_length_c 6.48070
_cell_angle_alpha 115.11562
_cell_angle_beta 115.52278
_cell_angle_gamma 98.11167
_cell_volume 206.30530
_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
Sb1 Sb 0.18955 0.68994 0.84198 1.00000
Sb2 Sb 0.68926 0.84717 0.49944 1.00000
Sb3 Sb 0.36675 0.21495 0.50669 1.00000
Sb4 Sb 0.86724 0.36053 0.15211 1.00000
Tl1 Tl 0.27469 0.28763 0.00097 1.00000
Tl2 Tl 0.77492 0.77353 0.98701 1.00000
Mn1 Mn 0.22725 0.75067 0.31256 1.00000
Mn2 Mn 0.93864 0.19839 0.48189 1.00000
Mn3 Mn 0.43918 0.95703 0.74101 1.00000
Mn4 Mn 0.72693 0.41457 0.47634 1.00000
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