CePrTe3
Alexandria ALEXAlex-ID: agm070055439 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_148_spg62
Pr2Te3 Ce2Te3
2025-01-25 08:32:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070055439).
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 agm070055439
data_agm070055439
_cell_length_a 4.47659
_cell_length_b 8.44287
_cell_length_c 17.54902
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 663.27025
_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
Ce1 Ce 0.75000 0.36962 0.29516 1.00000
Ce2 Ce 0.25000 0.63038 0.70484 1.00000
Ce3 Ce 0.75000 0.86962 0.20484 1.00000
Ce4 Ce 0.25000 0.13038 0.79516 1.00000
Pr1 Pr 0.25000 0.76729 0.45718 1.00000
Pr2 Pr 0.25000 0.26729 0.04282 1.00000
Pr3 Pr 0.75000 0.73271 0.95718 1.00000
Pr4 Pr 0.75000 0.23271 0.54282 1.00000
Te1 Te 0.25000 0.88008 0.06905 1.00000
Te2 Te 0.75000 0.34618 0.72012 1.00000
Te3 Te 0.75000 0.99961 0.38937 1.00000
Te4 Te 0.75000 0.49961 0.11063 1.00000
Te5 Te 0.75000 0.11992 0.93095 1.00000
Te6 Te 0.25000 0.50039 0.88937 1.00000
Te7 Te 0.25000 0.38008 0.43095 1.00000
Te8 Te 0.75000 0.84618 0.77988 1.00000
Te9 Te 0.25000 0.15382 0.22012 1.00000
Te10 Te 0.25000 0.65382 0.27988 1.00000
Te11 Te 0.75000 0.61992 0.56905 1.00000
Te12 Te 0.25000 0.00039 0.61063 1.00000
