NdPuF7
Alexandria ALEXAlex-ID: agm024216181 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
NdPuF7
2025-01-19 10:41:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024216181).
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 agm024216181
data_agm024216181
_cell_length_a 6.40059
_cell_length_b 6.13373
_cell_length_c 8.70876
_cell_angle_alpha 90.00000
_cell_angle_beta 103.08037
_cell_angle_gamma 90.00000
_cell_volume 333.03035
_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
Nd1 Nd 0.65221 0.29764 0.68763 1.00000
Nd2 Nd 0.34779 0.79764 0.31237 1.00000
Pu1 Pu 0.81371 0.29627 0.22535 1.00000
Pu2 Pu 0.18629 0.79627 0.77465 1.00000
F1 F 0.49292 0.05667 0.49589 1.00000
F2 F 0.50708 0.55667 0.50411 1.00000
F3 F 0.93164 0.55845 0.75658 1.00000
F4 F 0.06836 0.05845 0.24342 1.00000
F5 F 0.93660 0.04091 0.75513 1.00000
F6 F 0.06340 0.54091 0.24487 1.00000
F7 F 0.42984 0.04735 0.79531 1.00000
F8 F 0.57016 0.54735 0.20469 1.00000
F9 F 0.77498 0.29802 0.97410 1.00000
F10 F 0.22502 0.79802 0.02590 1.00000
F11 F 0.86027 0.29687 0.47721 1.00000
F12 F 0.13973 0.79687 0.52279 1.00000
F13 F 0.41735 0.53241 0.79473 1.00000
F14 F 0.58265 0.03241 0.20527 1.00000
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