Pr4Te3As
Alexandria ALEXAlex-ID: agm002199057 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_3_spg139
Pr6Te5As Pr3Te2As
2018-07-01 05:00:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199057).
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 agm002199057
data_agm002199057
_cell_length_a 6.32639
_cell_length_b 6.32639
_cell_length_c 7.78556
_cell_angle_alpha 66.02757
_cell_angle_beta 66.02757
_cell_angle_gamma 90.00047
_cell_volume 255.02798
_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
Pr1 Pr 0.98024 0.48024 0.03952 1.00000
Pr2 Pr 0.51976 0.01976 0.96048 1.00000
Pr3 Pr 0.75000 0.75000 0.50000 1.00000
Pr4 Pr 0.25000 0.25000 0.50000 1.00000
As1 As 0.75000 0.25000 0.50000 1.00000
Te1 Te 1.00000 0.00000 0.00000 1.00000
Te2 Te 0.50000 0.50000 0.00000 1.00000
Te3 Te 0.25000 0.75000 0.50000 1.00000
