Pr4PuTe5
Alexandria ALEXAlex-ID: agm058212759 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_3_spg79
Pr2PuTe3 PrTe
2024-11-13 21:04:23.109967
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058212759).
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
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# CIF generated by HEAS from Alexandria entry agm058212759
data_agm058212759
_cell_length_a 7.81905
_cell_length_b 7.81905
_cell_length_c 7.81905
_cell_angle_alpha 99.56186
_cell_angle_beta 99.56186
_cell_angle_gamma 131.89558
_cell_volume 324.93755
_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 0.80155 0.59516 0.39671 1.00000
Pr2 Pr 0.59516 0.19845 0.79361 1.00000
Pr3 Pr 0.40484 0.80155 0.20639 1.00000
Pr4 Pr 0.19845 0.40484 0.60329 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.29373 0.09941 0.39314 1.00000
Te2 Te 0.09941 0.70627 0.80569 1.00000
Te3 Te 0.90059 0.29373 0.19431 1.00000
Te4 Te 0.70627 0.90059 0.60686 1.00000
Te5 Te 0.50000 0.50000 0.00000 1.00000
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