Tl3Te3Pt2
Alexandria ALEXAlex-ID: agm009339339 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_192_spg2
TlTe3Pt2 Tl2Te TlPt
2024-03-21 19:10:59.332992
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009339339).
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 agm009339339
data_agm009339339
_cell_length_a 7.07499
_cell_length_b 7.07499
_cell_length_c 19.96973
_cell_angle_alpha 92.69292
_cell_angle_beta 92.69292
_cell_angle_gamma 150.18453
_cell_volume 488.64758
_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 0.55490 0.78017 0.91214 1.00000
Tl2 Tl 0.78017 0.55490 0.41214 1.00000
Tl3 Tl 0.21983 0.44510 0.58786 1.00000
Tl4 Tl 0.44510 0.21983 0.08786 1.00000
Tl5 Tl 0.67136 0.32864 0.75000 1.00000
Tl6 Tl 0.32864 0.67136 0.25000 1.00000
Te1 Te 0.82867 0.53881 0.93021 1.00000
Te2 Te 0.53881 0.82867 0.43021 1.00000
Te3 Te 0.46119 0.17133 0.56979 1.00000
Te4 Te 0.17133 0.46119 0.06979 1.00000
Te5 Te 0.93801 0.06199 0.75000 1.00000
Te6 Te 0.06199 0.93801 0.25000 1.00000
Pt1 Pt 0.05138 0.16636 0.35620 1.00000
Pt2 Pt 0.16636 0.05138 0.85620 1.00000
Pt3 Pt 0.83364 0.94862 0.14380 1.00000
Pt4 Pt 0.94862 0.83364 0.64380 1.00000
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