Cs2Tl3Pt2
Alexandria ALEXAlex-ID: agm003304574 · 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
A2B2C3_252_spg12
CsTl2 CsTlPt CsTl5Pt3
2022-01-23 07:35:28.352350
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304574).
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 agm003304574
data_agm003304574
_cell_length_a 4.51294
_cell_length_b 7.06892
_cell_length_c 8.01480
_cell_angle_alpha 72.63408
_cell_angle_beta 73.64799
_cell_angle_gamma 71.38487
_cell_volume 226.30689
_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
Cs1 Cs 0.14402 0.49147 0.22048 1.00000
Cs2 Cs 0.85598 0.50853 0.77952 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 0.35355 0.84852 0.44437 1.00000
Tl3 Tl 0.64645 0.15148 0.55563 1.00000
Pt1 Pt 0.11858 0.97936 0.78349 1.00000
Pt2 Pt 0.88142 0.02064 0.21651 1.00000
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