ThNp3As4
Alexandria ALEXAlex-ID: agm017174052 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_9_spg5
ThNp4As5 Th2NpAs3
2025-07-01 16:30:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017174052).
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 agm017174052
data_agm017174052
_cell_length_a 7.18906
_cell_length_b 7.18906
_cell_length_c 7.18906
_cell_angle_alpha 131.80322
_cell_angle_beta 131.80322
_cell_angle_gamma 70.54000
_cell_volume 202.28759
_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
Th1 Th 0.50000 0.50000 0.00000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.75000 0.25000 0.50000 1.00000
Np3 Np 0.25000 0.75000 0.50000 1.00000
As1 As 0.50000 0.00000 0.50000 1.00000
As2 As 0.00000 0.50000 0.50000 1.00000
As3 As 0.24578 0.24578 0.00000 1.00000
As4 As 0.75422 0.75422 0.00000 1.00000
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