Ce11Te16
Alexandria ALEXAlex-ID: agm017132821 · 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
A11B16_2_spg115
Ce2Te3 Ce3Te4
2025-03-13 02:53:47.005625
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017132821).
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 agm017132821
data_agm017132821
_cell_length_a 9.51779
_cell_length_b 9.51806
_cell_length_c 9.56418
_cell_angle_alpha 90.00132
_cell_angle_beta 89.99934
_cell_angle_gamma 89.99904
_cell_volume 866.42752
_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
Ce1 Ce 0.37638 0.25352 0.36570 1.00000
Ce2 Ce 0.50001 0.00001 0.75158 1.00000
Ce3 Ce 0.74648 0.37649 0.63429 1.00000
Ce4 Ce 0.62361 0.74649 0.36569 1.00000
Ce5 Ce 0.74485 0.12665 0.12194 1.00000
Ce6 Ce 0.87327 0.74477 0.87809 1.00000
Ce7 Ce 0.99999 0.50000 0.24843 1.00000
Ce8 Ce 0.25513 0.87336 0.12193 1.00000
Ce9 Ce 0.12672 0.25521 0.87808 1.00000
Ce10 Ce 0.25353 0.62350 0.63429 1.00000
Ce11 Ce 0.00002 0.99999 0.50004 1.00000
Te1 Te 0.32070 0.57953 0.30944 1.00000
Te2 Te 0.42177 0.17473 0.04307 1.00000
Te3 Te 0.32554 0.92721 0.45022 1.00000
Te4 Te 0.67449 0.07280 0.45024 1.00000
Te5 Te 0.67929 0.42050 0.30946 1.00000
Te6 Te 0.42051 0.32067 0.69057 1.00000
Te7 Te 0.57821 0.82527 0.04307 1.00000
Te8 Te 0.82769 0.07523 0.79858 1.00000
Te9 Te 0.57950 0.67932 0.69056 1.00000
Te10 Te 0.92724 0.67441 0.54975 1.00000
Te11 Te 0.82525 0.42172 0.95694 1.00000
Te12 Te 0.17472 0.57828 0.95693 1.00000
Te13 Te 0.17233 0.92476 0.79857 1.00000
Te14 Te 0.92476 0.82766 0.20140 1.00000
Te15 Te 0.07277 0.32558 0.54974 1.00000
Te16 Te 0.07523 0.17234 0.20141 1.00000
