Np3(UMn)4
Alexandria ALEXAlex-ID: agm009599596 · 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
A3B4C4_142_spg12
UMn Np
2024-03-31 01:38:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009599596).
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 agm009599596
data_agm009599596
_cell_length_a 5.08811
_cell_length_b 5.08811
_cell_length_c 11.26468
_cell_angle_alpha 73.62997
_cell_angle_beta 73.62997
_cell_angle_gamma 41.41120
_cell_volume 183.93642
_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
Np1 Np 0.85484 0.52960 0.70703 1.00000
Np2 Np 0.47040 0.14516 0.29297 1.00000
Np3 Np 0.66311 0.33689 0.00000 1.00000
U1 U 0.10262 0.77675 0.85236 1.00000
U2 U 0.04477 0.71958 0.42140 1.00000
U3 U 0.28042 0.95523 0.57860 1.00000
U4 U 0.22325 0.89738 0.14764 1.00000
Mn1 Mn 0.41613 0.08798 0.90071 1.00000
Mn2 Mn 0.91202 0.58387 0.09929 1.00000
Mn3 Mn 0.76810 0.44353 0.35071 1.00000
Mn4 Mn 0.55647 0.23190 0.64929 1.00000
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