LiNpTe3
Alexandria ALEXAlex-ID: agm003717153 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4845_spg65
NpTe2 Li2Te NpTe3
2022-04-16 04:47:43.914511
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003717153).
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 agm003717153
data_agm003717153
_cell_length_a 4.20911
_cell_length_b 9.05827
_cell_length_c 9.05856
_cell_angle_alpha 59.18569
_cell_angle_beta 90.00020
_cell_angle_gamma 89.99830
_cell_volume 296.62178
_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
Li1 Li 0.36179 0.69381 0.24670 1.00000
Li2 Li 0.36417 0.19400 0.74672 1.00000
Np1 Np 0.36322 0.69425 0.74635 1.00000
Np2 Np 0.86351 0.19445 0.24609 1.00000
Te1 Te 0.86433 0.40089 0.79817 1.00000
Te2 Te 0.86428 0.98756 0.69463 1.00000
Te3 Te 0.86200 0.64246 0.03971 1.00000
Te4 Te 0.36355 0.05656 0.10901 1.00000
Te5 Te 0.86198 0.74604 0.45300 1.00000
Te6 Te 0.36352 0.33151 0.38399 1.00000
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