LuNp2O9
Alexandria ALEXAlex-ID: agm102076136 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_823_spg1
LuNpO5 NpO3 O2
2025-05-24 00:45:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102076136).
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 agm102076136
data_agm102076136
_cell_length_a 3.55135
_cell_length_b 6.00233
_cell_length_c 8.57609
_cell_angle_alpha 110.53435
_cell_angle_beta 91.48985
_cell_angle_gamma 85.70836
_cell_volume 170.71581
_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
Lu1 Lu 0.63888 0.92071 0.00003 1.00000
Np1 Np 0.12956 0.39648 0.73374 1.00000
Np2 Np 0.12928 0.66348 0.26626 1.00000
O1 O 0.11538 0.14750 0.09353 1.00000
O2 O 0.10951 0.76542 0.49357 1.00000
O3 O 0.15033 0.61602 0.00008 1.00000
O4 O 0.58744 0.20351 0.73377 1.00000
O5 O 0.11547 0.05373 0.90647 1.00000
O6 O 0.58723 0.47042 0.26605 1.00000
O7 O 0.66320 0.86972 0.24737 1.00000
O8 O 0.11020 0.27132 0.50639 1.00000
O9 O 0.66350 0.62169 0.75275 1.00000
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