Pu4GeTe2Se
Alexandria ALEXAlex-ID: agm004853508 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
PuGe PuTe PuSe
2022-07-14 08:49:26.429694
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004853508).
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 agm004853508
data_agm004853508
_cell_length_a 4.28916
_cell_length_b 7.49779
_cell_length_c 7.41895
_cell_angle_alpha 70.38113
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99969
_cell_volume 224.73687
_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
Pu1 Pu 0.00000 0.72922 0.75900 1.00000
Pu2 Pu 1.00000 0.27079 0.24099 1.00000
Pu3 Pu 0.50000 0.72699 0.25452 1.00000
Pu4 Pu 0.50000 0.27301 0.74547 1.00000
Ge1 Ge 0.50000 0.50000 1.00000 1.00000
Te1 Te 0.00000 0.00000 1.00000 1.00000
Te2 Te 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.00000 0.49999 0.50000 1.00000
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