Y3Te2Pt
Alexandria ALEXAlex-ID: agm005755545 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2914_spg15
Y6Te5Pt YPt
2023-08-25 09:20:13.106451
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755545).
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 agm005755545
data_agm005755545
_cell_length_a 7.51627
_cell_length_b 7.51627
_cell_length_c 13.44521
_cell_angle_alpha 100.96931
_cell_angle_beta 100.96932
_cell_angle_gamma 108.61681
_cell_volume 680.47087
_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
Y1 Y 0.16126 0.69104 0.82057 1.00000
Y2 Y 0.65931 0.12954 0.82057 1.00000
Y3 Y 0.08874 0.05896 0.67943 1.00000
Y4 Y 0.59069 0.62046 0.67943 1.00000
Y5 Y 0.03213 0.53213 0.50000 1.00000
Y6 Y 0.46787 0.96787 0.50000 1.00000
Y7 Y 0.37954 0.40931 0.32057 1.00000
Y8 Y 0.94104 0.91126 0.32057 1.00000
Y9 Y 0.87046 0.34069 0.17943 1.00000
Y10 Y 0.30896 0.83874 0.17943 1.00000
Y11 Y 0.21787 0.21787 1.00000 1.00000
Y12 Y 0.78213 0.78213 0.00000 1.00000
Te1 Te 0.99522 0.49522 0.99044 1.00000
Te2 Te 0.42101 0.42101 0.84203 1.00000
Te3 Te 0.82899 0.32899 0.65797 1.00000
Te4 Te 0.25478 0.25478 0.50956 1.00000
Te5 Te 0.74522 0.74522 0.49044 1.00000
Te6 Te 0.67101 0.17101 0.34203 1.00000
Te7 Te 0.57899 0.57899 0.15797 1.00000
Te8 Te 0.50478 0.00478 0.00956 1.00000
Pt1 Pt 0.91644 0.91644 0.83288 1.00000
Pt2 Pt 0.33356 0.83356 0.66712 1.00000
Pt3 Pt 0.16644 0.66644 0.33288 1.00000
Pt4 Pt 0.08356 0.08356 0.16712 1.00000
