Np4U3Ti4
Alexandria ALEXAlex-ID: agm009296325 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
U2Ti Np Ti
2024-03-21 22:52:04.385248
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009296325).
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
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# CIF generated by HEAS from Alexandria entry agm009296325
data_agm009296325
_cell_length_a 2.74650
_cell_length_b 4.71861
_cell_length_c 15.20244
_cell_angle_alpha 98.92074
_cell_angle_beta 90.02980
_cell_angle_gamma 89.99955
_cell_volume 194.63524
_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 0.77452 0.45156 0.90309 1.00000
Np2 Np 0.27269 0.55137 0.10257 1.00000
Np3 Np 0.27148 0.18031 0.36073 1.00000
Np4 Np 0.77339 0.81980 0.63953 1.00000
U1 U 0.77375 0.36134 0.72257 1.00000
U2 U 0.27144 0.63947 0.27890 1.00000
U3 U 0.77498 0.99552 0.99110 1.00000
Ti1 Ti 0.27383 0.90751 0.81496 1.00000
Ti2 Ti 0.77194 0.73337 0.46693 1.00000
Ti3 Ti 0.27256 0.26794 0.53593 1.00000
Ti4 Ti 0.76956 0.09194 0.18370 1.00000
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