NdPu2Te3
Alexandria ALEXAlex-ID: agm034589261 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
NdPu2Te3
2024-11-03 05:38:36.979532
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034589261).
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 agm034589261
data_agm034589261
_cell_length_a 14.79343
_cell_length_b 14.10483
_cell_length_c 7.71446
_cell_angle_alpha 79.51198
_cell_angle_beta 69.63973
_cell_angle_gamma 30.84829
_cell_volume 750.69217
_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 0.91671 0.91671 0.08329 1.00000
Nd2 Nd 0.33329 0.33329 0.16671 1.00000
Nd3 Nd 0.16671 0.16671 0.33329 1.00000
Nd4 Nd 0.08329 0.08329 0.91671 1.00000
Pu1 Pu 0.00098 0.00098 0.49902 1.00000
Pu2 Pu 0.41594 0.41594 0.58406 1.00000
Pu3 Pu 0.83406 0.83406 0.66594 1.00000
Pu4 Pu 0.24902 0.24902 0.75098 1.00000
Pu5 Pu 0.75098 0.75098 0.24902 1.00000
Pu6 Pu 0.66594 0.66594 0.83406 1.00000
Pu7 Pu 0.58406 0.58406 0.41594 1.00000
Pu8 Pu 0.49902 0.49902 0.00098 1.00000
Te1 Te 0.16721 0.66810 0.33733 1.00000
Te2 Te 0.66810 0.16721 0.82737 1.00000
Te3 Te 0.08279 0.58190 0.91267 1.00000
Te4 Te 0.58190 0.08279 0.42263 1.00000
Te5 Te 0.99519 0.50481 0.50481 1.00000
Te6 Te 0.50481 0.99519 0.99519 1.00000
Te7 Te 0.42263 0.91267 0.58190 1.00000
Te8 Te 0.91267 0.42263 0.08279 1.00000
Te9 Te 0.82737 0.33733 0.66810 1.00000
Te10 Te 0.33733 0.82737 0.16721 1.00000
Te11 Te 0.25481 0.74519 0.74519 1.00000
Te12 Te 0.74519 0.25481 0.25481 1.00000
