Te2PPt
Alexandria ALEXAlex-ID: agm004442467 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_10853_spg1
Te2Pt P2Pt Te
2022-04-29 09:45:52.364747
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004442467).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004442467
data_agm004442467
_cell_length_a 6.11666
_cell_length_b 8.69306
_cell_length_c 3.98091
_cell_angle_alpha 89.99811
_cell_angle_beta 89.99885
_cell_angle_gamma 103.51361
_cell_volume 205.81472
_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
P1 P 0.56498 0.44190 0.44652 1.00000
P2 P 0.76241 0.25941 0.44657 1.00000
Te1 Te 0.16460 0.14562 0.94658 1.00000
Te2 Te 0.68144 0.64000 0.94649 1.00000
Te3 Te 0.16304 0.57224 0.94654 1.00000
Te4 Te 0.46436 0.91247 0.44660 1.00000
Pt1 Pt 0.16194 0.36072 0.44656 1.00000
Pt2 Pt 0.62131 0.11831 0.94659 1.00000
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