Th4Mn2Tl5
Alexandria ALEXAlex-ID: agm005679864 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_662_spg10
ThTl3 Mn ThTl
2023-06-22 03:47:08.110029
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679864).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005679864
data_agm005679864
_cell_length_a 3.75170
_cell_length_b 8.19457
_cell_length_c 9.69159
_cell_angle_alpha 93.59722
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 297.36709
_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
Th1 Th 0.50000 0.79072 0.57195 1.00000
Th2 Th 0.50000 0.19082 0.84001 1.00000
Th3 Th 0.50000 0.20928 0.42805 1.00000
Th4 Th 0.50000 0.80918 0.15999 1.00000
Mn1 Mn 0.00000 0.06944 0.62429 1.00000
Mn2 Mn 0.00000 0.93056 0.37571 1.00000
Tl1 Tl 0.00000 0.54895 0.33841 1.00000
Tl2 Tl 0.00000 0.14556 0.13530 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Tl4 Tl 0.00000 0.85444 0.86470 1.00000
Tl5 Tl 0.00000 0.45105 0.66159 1.00000
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