Np6VSi8
Alexandria ALEXAlex-ID: agm072405083 · 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
AB6C8_62_spg148
VSi2 NpSi
2024-10-11 15:22:41.757825
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072405083).
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 agm072405083
data_agm072405083
_cell_length_a 7.03262
_cell_length_b 6.96399
_cell_length_c 6.64836
_cell_angle_alpha 62.42332
_cell_angle_beta 65.16970
_cell_angle_gamma 67.55793
_cell_volume 254.72971
_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 0.72514 0.17032 0.59120 1.00000
Np2 Np 0.93185 0.32409 0.16430 1.00000
Np3 Np 0.42596 0.49548 0.55850 1.00000
Np4 Np 0.91739 0.65638 0.45608 1.00000
Np5 Np 0.71069 0.50264 0.88299 1.00000
Np6 Np 0.21656 0.33120 0.48878 1.00000
V1 V 0.32128 0.91339 0.02361 1.00000
Si1 Si 0.65590 0.08765 0.25084 1.00000
Si2 Si 0.98664 0.73907 0.79644 1.00000
Si3 Si 0.65841 0.78257 0.13055 1.00000
Si4 Si 0.40585 0.22121 0.03453 1.00000
Si5 Si 0.18935 0.94969 0.41681 1.00000
Si6 Si 0.98411 0.04415 0.91674 1.00000
Si7 Si 0.23668 0.60555 0.01275 1.00000
Si8 Si 0.45318 0.87700 0.63043 1.00000
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