La10ErTe16
Alexandria ALEXAlex-ID: agm017125690 · 空间群: P-4 (#81)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB10C16_9_spg81
La6ErTe8 Er3Te4 La2Te3
2025-02-22 07:16:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017125690).
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 agm017125690
data_agm017125690
_cell_length_a 9.62437
_cell_length_b 9.62437
_cell_length_c 9.68950
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 897.52352
_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 0.25454 0.62427 0.86311 1.00000
La2 La 0.00000 0.50000 0.25045 1.00000
La3 La 0.37573 0.25454 0.13689 1.00000
La4 La 0.74546 0.37573 0.86311 1.00000
La5 La 0.12692 0.25627 0.62223 1.00000
La6 La 0.74373 0.12692 0.37777 1.00000
La7 La 0.50000 0.00000 0.74955 1.00000
La8 La 0.87308 0.74373 0.62223 1.00000
La9 La 0.25627 0.87308 0.37777 1.00000
La10 La 0.62427 0.74546 0.13689 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.58095 0.67965 0.81135 1.00000
Te2 Te 0.17490 0.57894 0.54107 1.00000
Te3 Te 0.93303 0.68392 0.95139 1.00000
Te4 Te 0.06697 0.31608 0.95139 1.00000
Te5 Te 0.41905 0.32035 0.81135 1.00000
Te6 Te 0.32035 0.58095 0.18865 1.00000
Te7 Te 0.82510 0.42106 0.54107 1.00000
Te8 Te 0.07443 0.17039 0.29567 1.00000
Te9 Te 0.67965 0.41905 0.18865 1.00000
Te10 Te 0.68392 0.06697 0.04861 1.00000
Te11 Te 0.42106 0.17490 0.45893 1.00000
Te12 Te 0.57894 0.82510 0.45893 1.00000
Te13 Te 0.92557 0.82961 0.29567 1.00000
Te14 Te 0.82961 0.07443 0.70433 1.00000
Te15 Te 0.31608 0.93303 0.04861 1.00000
Te16 Te 0.17039 0.92557 0.70433 1.00000
