Pu3(GeH)2
Alexandria ALEXAlex-ID: agm003307643 · 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
A2B2C3_336_spg12
Pu2H5 PuGeH Pu5Ge3
2022-02-03 16:43:36.995106
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003307643).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003307643
data_agm003307643
_cell_length_a 3.26814
_cell_length_b 7.18955
_cell_length_c 5.80004
_cell_angle_alpha 98.68890
_cell_angle_beta 106.36373
_cell_angle_gamma 90.00000
_cell_volume 129.12918
_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 0.50000 0.00000 1.00000
Pu2 Pu 0.27502 0.75228 0.55005 1.00000
Pu3 Pu 0.72498 0.24772 0.44995 1.00000
Ge1 Ge 0.55983 0.86097 0.11965 1.00000
Ge2 Ge 0.44017 0.13903 0.88035 1.00000
H1 H 0.80910 0.55939 0.61821 1.00000
H2 H 0.19090 0.44061 0.38179 1.00000
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