SmPuF7
Alexandria ALEXAlex-ID: agm024283302 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
SmPuF7
2025-01-19 10:38:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024283302).
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 agm024283302
data_agm024283302
_cell_length_a 6.33512
_cell_length_b 6.08905
_cell_length_c 8.63159
_cell_angle_alpha 90.00000
_cell_angle_beta 103.30089
_cell_angle_gamma 90.00000
_cell_volume 324.03075
_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
Sm1 Sm 0.65029 0.75000 0.68665 1.00000
Sm2 Sm 0.34971 0.25000 0.31335 1.00000
Pu1 Pu 0.81532 0.75000 0.22567 1.00000
Pu2 Pu 0.18468 0.25000 0.77433 1.00000
F1 F 0.50000 0.50000 0.50000 1.00000
F2 F 0.50000 0.00000 0.50000 1.00000
F3 F 0.92879 0.00808 0.75542 1.00000
F4 F 0.07121 0.50808 0.24458 1.00000
F5 F 0.92879 0.49192 0.75542 1.00000
F6 F 0.07121 0.99192 0.24458 1.00000
F7 F 0.42340 0.51064 0.79457 1.00000
F8 F 0.57660 0.01064 0.20543 1.00000
F9 F 0.77507 0.75000 0.97217 1.00000
F10 F 0.22493 0.25000 0.02783 1.00000
F11 F 0.86184 0.75000 0.47969 1.00000
F12 F 0.13816 0.25000 0.52031 1.00000
F13 F 0.42340 0.98936 0.79457 1.00000
F14 F 0.57660 0.48936 0.20543 1.00000
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