NdNpTe3
Alexandria ALEXAlex-ID: agm005830438 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_390_spg14
NpTe2 Nd2Te3 Np3Te4
2023-07-06 03:11:59.943251
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005830438).
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 agm005830438
data_agm005830438
_cell_length_a 7.71258
_cell_length_b 7.84698
_cell_length_c 11.58812
_cell_angle_alpha 108.14619
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 666.43824
_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
Nd1 Nd 0.71337 0.00548 0.36682 1.00000
Nd2 Nd 0.28663 0.99452 0.63318 1.00000
Nd3 Nd 0.21337 0.49452 0.13318 1.00000
Nd4 Nd 0.78663 0.50548 0.86682 1.00000
Np1 Np 0.30086 0.93304 0.95615 1.00000
Np2 Np 0.69914 0.06696 0.04385 1.00000
Np3 Np 0.80086 0.56696 0.54385 1.00000
Np4 Np 0.19914 0.43304 0.45615 1.00000
Te1 Te 0.37586 0.18222 0.22435 1.00000
Te2 Te 0.62414 0.81778 0.77565 1.00000
Te3 Te 0.87586 0.31778 0.27565 1.00000
Te4 Te 0.12414 0.68222 0.72435 1.00000
Te5 Te 0.99137 0.79733 0.07333 1.00000
Te6 Te 0.00863 0.20267 0.92667 1.00000
Te7 Te 0.49137 0.70267 0.42667 1.00000
Te8 Te 0.50863 0.29733 0.57333 1.00000
Te9 Te 0.53899 0.72765 0.09793 1.00000
Te10 Te 0.46101 0.27235 0.90207 1.00000
Te11 Te 0.03899 0.77235 0.40207 1.00000
Te12 Te 0.96101 0.22765 0.59793 1.00000
