Cu2Te10Pt3
Alexandria ALEXAlex-ID: agm008055366 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C10_124_spg12
CuTe Te2Pt Te
2025-03-11 03:43:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008055366).
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 agm008055366
data_agm008055366
_cell_length_a 4.06905
_cell_length_b 4.06905
_cell_length_c 26.36236
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 378.00765
_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
Cu1 Cu 0.00000 0.00000 0.09870 1.00000
Cu2 Cu 0.00000 0.00000 0.90130 1.00000
Te1 Te 0.66667 0.33333 0.65368 1.00000
Te2 Te 0.66667 0.33333 0.44803 1.00000
Te3 Te 0.66667 0.33333 0.24199 1.00000
Te4 Te 0.66667 0.33333 0.04136 1.00000
Te5 Te 0.66667 0.33333 0.85336 1.00000
Te6 Te 0.33333 0.66667 0.55197 1.00000
Te7 Te 0.33333 0.66667 0.34632 1.00000
Te8 Te 0.33333 0.66667 0.14664 1.00000
Te9 Te 0.33333 0.66667 0.95864 1.00000
Te10 Te 0.33333 0.66667 0.75801 1.00000
Pt1 Pt 0.00000 0.00000 0.70482 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
Pt3 Pt 0.00000 0.00000 0.29518 1.00000
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