Tl2In2SnPb4
Alexandria ALEXAlex-ID: agm004569367 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_295_spg2
Tl2Pb7 Sn In TlPb
2022-06-19 15:23:29.965578
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004569367).
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 agm004569367
data_agm004569367
_cell_length_a 6.22654
_cell_length_b 9.07810
_cell_length_c 6.91096
_cell_angle_alpha 120.19707
_cell_angle_beta 111.80753
_cell_angle_gamma 99.64759
_cell_volume 281.23497
_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
Tl1 Tl 0.37874 0.85015 0.64369 1.00000
Tl2 Tl 0.62126 0.14985 0.35631 1.00000
In1 In 0.81477 0.33379 0.97787 1.00000
In2 In 0.18523 0.66621 0.02213 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.78217 0.78393 0.19498 1.00000
Pb2 Pb 0.74585 0.57168 0.47190 1.00000
Pb3 Pb 0.21783 0.21607 0.80502 1.00000
Pb4 Pb 0.25415 0.42832 0.52810 1.00000
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