Na2UAs3Pt4
Alexandria ALEXAlex-ID: agm004518974 · 空间群: P-4m2 (#115)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D4_7_spg115
Na3(AsPt)2 U3As4 UPt3 As2Pt
2022-06-21 10:08:46.052566
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004518974).
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 agm004518974
data_agm004518974
_cell_length_a 4.19681
_cell_length_b 4.19681
_cell_length_c 11.59274
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 204.18505
_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
Na1 Na 0.50000 0.00000 0.22503 1.00000
Na2 Na 0.00000 0.50000 0.77497 1.00000
U1 U 0.50000 0.50000 0.50000 1.00000
As1 As 0.00000 0.00000 0.50000 1.00000
As2 As 0.50000 0.00000 0.87328 1.00000
As3 As 0.00000 0.50000 0.12672 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.00000 1.00000
Pt3 Pt 0.50000 0.00000 0.66348 1.00000
Pt4 Pt 0.00000 0.50000 0.33652 1.00000
获取直接链接