K2RbNbTe4
Alexandria ALEXAlex-ID: agm017225079 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_37_spg42
K3NbTe4 Rb3NbTe4
2024-12-19 04:42:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017225079).
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 agm017225079
data_agm017225079
_cell_length_a 7.56685
_cell_length_b 7.56685
_cell_length_c 7.56685
_cell_angle_alpha 110.50067
_cell_angle_beta 110.50067
_cell_angle_gamma 107.43139
_cell_volume 333.20514
_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
K1 K 0.50000 0.00000 0.50000 1.00000
K2 K 0.00000 0.50000 0.50000 1.00000
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.00777 0.65251 0.00000 1.00000
Te2 Te 0.99223 0.99223 0.64474 1.00000
Te3 Te 0.34749 0.34749 0.35526 1.00000
Te4 Te 0.65251 0.00777 0.00000 1.00000
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