V4Os(WN4)3
Alexandria ALEXAlex-ID: agm045495077 · 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
AB3C4D12_404_spg1
W2N3 N2 VN Os
2024-10-14 20:22:41.889108
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045495077).
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 agm045495077
data_agm045495077
_cell_length_a 5.39079
_cell_length_b 5.69541
_cell_length_c 7.56802
_cell_angle_alpha 107.35615
_cell_angle_beta 106.67413
_cell_angle_gamma 91.77622
_cell_volume 210.71992
_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 0.33568 0.04905 0.39329 1.00000
V2 V 0.28162 0.07603 0.02000 1.00000
V3 V 0.88247 0.60246 0.53340 1.00000
V4 V 0.77419 0.50659 0.01975 1.00000
Os1 Os 0.70003 0.85159 0.84976 1.00000
W1 W 0.33294 0.55230 0.36565 1.00000
W2 W 0.85738 0.14063 0.50869 1.00000
W3 W 0.28470 0.52505 0.87513 1.00000
N1 N 0.05606 0.77007 0.80483 1.00000
N2 N 0.04545 0.81984 0.40583 1.00000
N3 N 0.59048 0.37623 0.56269 1.00000
N4 N 0.44179 0.42787 0.12285 1.00000
N5 N 0.57405 0.00860 0.23416 1.00000
N6 N 0.01376 0.24283 0.81438 1.00000
N7 N 0.07180 0.74481 0.21451 1.00000
N8 N 0.56518 0.47127 0.75172 1.00000
N9 N 0.08029 0.33072 0.40706 1.00000
N10 N 0.91145 0.18606 0.94632 1.00000
N11 N 0.59189 0.85396 0.55195 1.00000
N12 N 0.56927 0.83648 0.06505 1.00000
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