Ce3(InTe3)2
Alexandria ALEXAlex-ID: agm005604186 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C6_239_spg12
CeInTe2 InTe Ce2Te3
2023-06-12 12:02:50.934000
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604186).
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
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# CIF generated by HEAS from Alexandria entry agm005604186
data_agm005604186
_cell_length_a 7.83029
_cell_length_b 7.82816
_cell_length_c 8.46489
_cell_angle_alpha 81.15731
_cell_angle_beta 72.09975
_cell_angle_gamma 59.99100
_cell_volume 427.56403
_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 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.33413 0.33174 1.00000 1.00000
Ce3 Ce 0.66587 0.66826 0.00000 1.00000
In1 In 0.16711 0.66578 0.50000 1.00000
In2 In 0.83289 0.33422 0.50000 1.00000
Te1 Te 0.40696 0.66396 0.77876 1.00000
Te2 Te 0.74327 1.00000 0.77735 1.00000
Te3 Te 0.07091 0.33604 0.77876 1.00000
Te4 Te 0.25673 0.00000 0.22265 1.00000
Te5 Te 0.59304 0.33604 0.22124 1.00000
Te6 Te 0.92909 0.66396 0.22124 1.00000
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