La2YTe3
Alexandria ALEXAlex-ID: agm005643371 · 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
La4YTe5 YTe
2023-08-25 10:17:31.176202
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643371).
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 agm005643371
data_agm005643371
_cell_length_a 7.83411
_cell_length_b 7.83410
_cell_length_c 14.14820
_cell_angle_alpha 100.78319
_cell_angle_beta 100.78319
_cell_angle_gamma 108.91886
_cell_volume 777.70165
_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
La1 La 0.99835 0.49835 0.99670 1.00000
La2 La 0.41907 0.41907 0.83814 1.00000
La3 La 0.83093 0.33093 0.66186 1.00000
La4 La 0.25165 0.25165 0.50330 1.00000
La5 La 0.74835 0.74835 0.49670 1.00000
La6 La 0.66907 0.16907 0.33814 1.00000
La7 La 0.58093 0.58093 0.16186 1.00000
La8 La 0.50165 0.00165 0.00330 1.00000
Y1 Y 0.91722 0.91722 0.83444 1.00000
Y2 Y 0.33278 0.83278 0.66556 1.00000
Y3 Y 0.16722 0.66722 0.33444 1.00000
Y4 Y 0.08278 0.08278 0.16556 1.00000
Te1 Te 0.16503 0.67623 0.82844 1.00000
Te2 Te 0.66342 0.15222 0.82844 1.00000
Te3 Te 0.08497 0.07377 0.67156 1.00000
Te4 Te 0.58658 0.59778 0.67156 1.00000
Te5 Te 0.01346 0.51346 0.50000 1.00000
Te6 Te 0.48654 0.98654 0.50000 1.00000
Te7 Te 0.40222 0.41342 0.32844 1.00000
Te8 Te 0.92623 0.91503 0.32844 1.00000
Te9 Te 0.84778 0.33658 0.17156 1.00000
Te10 Te 0.32377 0.83497 0.17156 1.00000
Te11 Te 0.23654 0.23654 1.00000 1.00000
Te12 Te 0.76346 0.76346 0.00000 1.00000
