Nd2TePb
Alexandria ALEXAlex-ID: agm014166285 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_56_spg141
Nd2TePb
2024-12-12 08:55:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014166285).
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 agm014166285
data_agm014166285
_cell_length_a 7.88262
_cell_length_b 7.88262
_cell_length_c 7.88262
_cell_angle_alpha 131.94033
_cell_angle_beta 131.94033
_cell_angle_gamma 70.32328
_cell_volume 265.59339
_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 0.49919 0.99919 0.50000 1.00000
Nd2 Nd 0.74919 0.74919 0.00000 1.00000
Nd3 Nd 0.00081 0.50081 0.50000 1.00000
Nd4 Nd 0.25081 0.25081 0.00000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.75000 0.25000 0.50000 1.00000
Pb1 Pb 0.25000 0.75000 0.50000 1.00000
Pb2 Pb 0.50000 0.50000 0.00000 1.00000
