V5(WN4)3
Alexandria ALEXAlex-ID: agm044306272 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C12_737_spg1
W2N3 N2 VN
2024-10-14 22:05:01.001787
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044306272).
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 agm044306272
data_agm044306272
_cell_length_a 5.46370
_cell_length_b 6.00323
_cell_length_c 7.83562
_cell_angle_alpha 117.63431
_cell_angle_beta 116.20264
_cell_angle_gamma 81.92907
_cell_volume 203.61986
_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
V1 V 0.62579 0.74094 0.30113 1.00000
V2 V 0.63596 0.65605 0.91471 1.00000
V3 V 0.18501 0.33108 0.06668 1.00000
V4 V 0.19300 0.29932 0.58631 1.00000
V5 V 0.19395 0.81129 0.85478 1.00000
W1 W 0.57386 0.22072 0.93707 1.00000
W2 W 0.16198 0.79749 0.46958 1.00000
W3 W 0.56281 0.27788 0.43164 1.00000
N1 N 0.41307 0.55932 0.34733 1.00000
N2 N 0.32766 0.53015 0.95297 1.00000
N3 N 0.96738 0.03185 0.03356 1.00000
N4 N 0.87565 0.05228 0.45824 1.00000
N5 N 0.28348 0.98143 0.34073 1.00000
N6 N 0.88682 0.73930 0.57113 1.00000
N7 N 0.61222 0.32047 0.72132 1.00000
N8 N 0.48257 0.10127 0.11450 1.00000
N9 N 0.46269 0.84234 0.74735 1.00000
N10 N 0.12056 0.13995 0.25864 1.00000
N11 N 0.86282 0.55631 0.15865 1.00000
N12 N 0.89104 0.53822 0.60593 1.00000
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