NpV3Ge5
Alexandria ALEXAlex-ID: agm072583466 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1064_spg191
V11Ge8 V5Ge3 NpGe3
2024-09-24 23:05:50.952346
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072583466).
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 agm072583466
data_agm072583466
_cell_length_a 5.31733
_cell_length_b 5.31733
_cell_length_c 6.36561
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 155.86819
_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 0.00000 0.00000 0.00000 1.00000
V1 V 0.50000 0.50000 0.50000 1.00000
V2 V 0.50000 0.00000 0.50000 1.00000
V3 V 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.00000 0.00000 0.50000 1.00000
Ge2 Ge 0.66667 0.33333 0.81250 1.00000
Ge3 Ge 0.33333 0.66667 0.18750 1.00000
Ge4 Ge 0.33333 0.66667 0.81250 1.00000
Ge5 Ge 0.66667 0.33333 0.18750 1.00000
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