Np(U2Sb)2
Alexandria ALEXAlex-ID: agm006044516 · 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
AB2C4_1058_spg11
U2Sb Np
2023-10-15 22:43:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006044516).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006044516
data_agm006044516
_cell_length_a 6.35910
_cell_length_b 5.53101
_cell_length_c 10.25863
_cell_angle_alpha 117.04184
_cell_angle_beta 89.99817
_cell_angle_gamma 90.02215
_cell_volume 321.37215
_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 0.25027 0.75170 0.82272 1.00000
Np2 Np 0.74973 0.24830 0.17728 1.00000
U1 U 0.54015 0.42629 0.71600 1.00000
U2 U 0.25017 0.96030 0.09018 1.00000
U3 U 0.74983 0.03970 0.90982 1.00000
U4 U 0.95996 0.42654 0.71606 1.00000
U5 U 0.74984 0.12980 0.37682 1.00000
U6 U 0.04004 0.57346 0.28394 1.00000
U7 U 0.45985 0.57371 0.28400 1.00000
U8 U 0.25016 0.87020 0.62318 1.00000
Sb1 Sb 0.24985 0.34364 0.95295 1.00000
Sb2 Sb 0.75015 0.65636 0.04705 1.00000
Sb3 Sb 0.75014 0.80930 0.57188 1.00000
Sb4 Sb 0.24986 0.19070 0.42812 1.00000
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