Pu8TcGe3
Alexandria ALEXAlex-ID: agm005969656 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_275_spg71
Pu5Ge3 Pu Tc
2023-09-08 14:42:02.585832
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005969656).
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 agm005969656
data_agm005969656
_cell_length_a 8.97612
_cell_length_b 7.51540
_cell_length_c 5.42507
_cell_angle_alpha 68.87636
_cell_angle_beta 89.94755
_cell_angle_gamma 126.64475
_cell_volume 262.25017
_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 0.15081 0.00000 0.50263 1.00000
Pu2 Pu 0.40231 0.48740 0.75532 1.00000
Pu3 Pu 0.91491 0.51260 0.24272 1.00000
Pu4 Pu 0.66396 1.00000 0.99998 1.00000
Pu5 Pu 0.85137 0.00000 0.50130 1.00000
Pu6 Pu 0.59236 0.50440 0.24676 1.00000
Pu7 Pu 0.08796 0.49560 0.75117 1.00000
Pu8 Pu 0.33374 1.00000 0.00041 1.00000
Tc1 Tc 0.00149 1.00000 0.00238 1.00000
Ge1 Ge 0.74878 0.49543 0.75097 1.00000
Ge2 Ge 0.25336 0.50458 0.24640 1.00000
Ge3 Ge 0.49910 1.00000 0.50009 1.00000
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