Pu8MnGe4
Alexandria ALEXAlex-ID: agm098097239 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1733_spg38
Pu5Ge3 Pu Mn
2025-06-16 22:16:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098097239).
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 agm098097239
data_agm098097239
_cell_length_a 3.83911
_cell_length_b 8.73300
_cell_length_c 8.67956
_cell_angle_alpha 111.68362
_cell_angle_beta 86.62146
_cell_angle_gamma 84.79980
_cell_volume 267.94859
_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 0.34258 0.22157 0.83584 1.00000
Pu2 Pu 0.23936 0.65020 0.84465 1.00000
Pu3 Pu 0.25322 0.69470 0.28188 1.00000
Pu4 Pu 0.38685 0.15868 0.40215 1.00000
Pu5 Pu 0.48386 0.77529 0.59658 1.00000
Pu6 Pu 0.59419 0.36621 0.65992 1.00000
Pu7 Pu 0.65525 0.29685 0.22458 1.00000
Pu8 Pu 0.72571 0.84861 0.19921 1.00000
Mn1 Mn 0.79950 0.96073 0.84474 1.00000
Ge1 Ge 0.24603 0.01752 0.04785 1.00000
Ge2 Ge 0.78951 0.49343 0.01056 1.00000
Ge3 Ge 0.06398 0.49928 0.48277 1.00000
Ge4 Ge 0.91995 0.01694 0.56927 1.00000
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