Ta3V2MoN6
Alexandria ALEXAlex-ID: agm034796084 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_28_spg12
VN TaN MoN
2024-08-14 22:18:27.991507
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034796084).
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 agm034796084
data_agm034796084
_cell_length_a 6.71058
_cell_length_b 6.71058
_cell_length_c 6.17970
_cell_angle_alpha 80.06943
_cell_angle_beta 80.06943
_cell_angle_gamma 26.44826
_cell_volume 121.98421
_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
Ta1 Ta 0.50000 0.50000 0.50000 1.00000
Ta2 Ta 0.15801 0.15801 0.15226 1.00000
Ta3 Ta 0.84199 0.84199 0.84774 1.00000
V1 V 0.17718 0.17718 0.61176 1.00000
V2 V 0.82282 0.82282 0.38824 1.00000
Mo1 Mo 0.50000 0.50000 0.00000 1.00000
N1 N 0.67485 0.67485 0.89631 1.00000
N2 N 0.33314 0.33314 0.60078 1.00000
N3 N 0.32515 0.32515 0.10369 1.00000
N4 N 0.98258 0.98258 0.26264 1.00000
N5 N 0.01742 0.01742 0.73736 1.00000
N6 N 0.66686 0.66686 0.39922 1.00000
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