Pu4InBi12
Alexandria ALEXAlex-ID: agm006019482 · 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
AB4C12_92_spg12
PuInBi2 PuBi2 Bi
2023-08-08 01:55:12.463704
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019482).
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 agm006019482
data_agm006019482
_cell_length_a 10.45046
_cell_length_b 8.80294
_cell_length_c 8.81965
_cell_angle_alpha 98.96211
_cell_angle_beta 118.56506
_cell_angle_gamma 118.23877
_cell_volume 545.93467
_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 0.00000 0.50000 1.00000
Pu2 Pu 0.50000 0.00000 0.00000 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Pu4 Pu 0.00000 0.50000 0.00000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.99465 0.26450 0.26422 1.00000
Bi2 Bi 0.00535 0.73550 0.73578 1.00000
Bi3 Bi 0.67701 0.73530 0.99435 1.00000
Bi4 Bi 0.32299 0.26470 0.00565 1.00000
Bi5 Bi 0.32408 0.00541 0.26548 1.00000
Bi6 Bi 0.67592 0.99459 0.73452 1.00000
Bi7 Bi 0.49963 0.25832 0.74185 1.00000
Bi8 Bi 0.50037 0.74168 0.25815 1.00000
Bi9 Bi 0.77762 0.24540 0.50706 1.00000
Bi10 Bi 0.22238 0.75460 0.49294 1.00000
Bi11 Bi 0.77650 0.50646 0.24562 1.00000
Bi12 Bi 0.22350 0.49354 0.75438 1.00000
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