Cs(NdTe2)2
Alexandria ALEXAlex-ID: agm003454202 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_914_spg166
Nd2Te5 CsNdTe2 Nd8Te15
2022-02-20 01:45:22.176121
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003454202).
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 agm003454202
data_agm003454202
_cell_length_a 4.61507
_cell_length_b 4.61507
_cell_length_c 16.05839
_cell_angle_alpha 81.73820
_cell_angle_beta 81.73820
_cell_angle_gamma 60.00000
_cell_volume 292.09641
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.59781 0.59781 0.20656 1.00000
Nd2 Nd 0.40219 0.40219 0.79344 1.00000
Te1 Te 0.70030 0.70030 0.89911 1.00000
Te2 Te 0.89267 0.89267 0.32200 1.00000
Te3 Te 0.29970 0.29970 0.10089 1.00000
Te4 Te 0.10733 0.10733 0.67800 1.00000
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