Pr2Pu2Ti5
Alexandria ALEXAlex-ID: agm009657258 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_275_spg12
Pr Pu Ti
2024-03-08 16:38:16.322796
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009657258).
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 agm009657258
data_agm009657258
_cell_length_a 8.80635
_cell_length_b 8.80635
_cell_length_c 5.29878
_cell_angle_alpha 66.60496
_cell_angle_beta 66.60496
_cell_angle_gamma 31.93676
_cell_volume 197.96947
_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 0.75928 0.75928 0.27627 1.00000
Pr2 Pr 0.24072 0.24072 0.72373 1.00000
Pu1 Pu 0.46813 0.46813 0.32579 1.00000
Pu2 Pu 0.53187 0.53187 0.67421 1.00000
Ti1 Ti 0.62257 0.62257 0.02315 1.00000
Ti2 Ti 0.37743 0.37743 0.97685 1.00000
Ti3 Ti 0.90564 0.90564 0.62154 1.00000
Ti4 Ti 0.09436 0.09436 0.37846 1.00000
Ti5 Ti 0.00000 0.00000 0.00000 1.00000
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