Nb(VMo2)6
Alexandria ALEXAlex-ID: agm006125035 · 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
AB6C12_349_spg2
VMo2 V2Mo3 NbMo
2023-08-30 03:05:44.415220
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006125035).
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 agm006125035
data_agm006125035
_cell_length_a 9.88524
_cell_length_b 9.24254
_cell_length_c 5.17257
_cell_angle_alpha 104.81453
_cell_angle_beta 67.59153
_cell_angle_gamma 138.60499
_cell_volume 288.54710
_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
Nb1 Nb 0.00000 1.00000 0.00000 1.00000
V1 V 0.84462 0.31955 0.89380 1.00000
V2 V 0.62672 0.73325 0.42496 1.00000
V3 V 0.10743 0.78772 0.73040 1.00000
V4 V 0.37328 0.26675 0.57504 1.00000
V5 V 0.15538 0.68045 0.10619 1.00000
V6 V 0.89257 0.21228 0.26960 1.00000
Mo1 Mo 0.94604 0.10743 0.63171 1.00000
Mo2 Mo 0.47458 0.05343 0.31507 1.00000
Mo3 Mo 0.31850 0.37223 0.21321 1.00000
Mo4 Mo 0.79197 0.41982 0.52251 1.00000
Mo5 Mo 0.68150 0.62777 0.78679 1.00000
Mo6 Mo 0.52542 0.94657 0.68493 1.00000
Mo7 Mo 0.57991 0.84585 0.05402 1.00000
Mo8 Mo 0.26056 0.47379 0.84476 1.00000
Mo9 Mo 0.05396 0.89257 0.36830 1.00000
Mo10 Mo 0.42009 0.15415 0.94597 1.00000
Mo11 Mo 0.73944 0.52621 0.15524 1.00000
Mo12 Mo 0.20802 0.58018 0.47749 1.00000
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