Hf2Np3V2
Alexandria ALEXAlex-ID: agm010051648 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_528_spg2
Hf Np V
2024-04-06 15:03:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010051648).
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 agm010051648
data_agm010051648
_cell_length_a 3.20625
_cell_length_b 6.18863
_cell_length_c 7.07512
_cell_angle_alpha 75.71103
_cell_angle_beta 84.18936
_cell_angle_gamma 102.93977
_cell_volume 130.75546
_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
Hf1 Hf 0.84166 0.48700 0.80682 1.00000
Hf2 Hf 0.15834 0.51300 0.19318 1.00000
Np1 Np 0.52496 0.04745 0.26877 1.00000
Np2 Np 0.00000 0.00000 0.00000 1.00000
Np3 Np 0.47504 0.95255 0.73123 1.00000
V1 V 0.33747 0.27422 0.54781 1.00000
V2 V 0.66253 0.72578 0.45219 1.00000
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