VTcP
Alexandria ALEXAlex-ID: agm005661865 · 空间群: Ima2 (#46)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_10386_spg46
Tc3P2 V12P7 VTc
2023-06-18 07:08:29.715725
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661865).
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 agm005661865
data_agm005661865
_cell_length_a 6.39199
_cell_length_b 6.75995
_cell_length_c 7.23830
_cell_angle_alpha 117.83694
_cell_angle_beta 116.20213
_cell_angle_gamma 90.00000
_cell_volume 239.62537
_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 0.73904 0.03832 0.57663 1.00000
V2 V 0.16241 0.96168 0.42337 1.00000
V3 V 0.35478 0.76110 0.02220 1.00000
V4 V 0.33258 0.23890 0.97780 1.00000
V5 V 0.15782 0.43719 0.37437 1.00000
V6 V 0.78344 0.56281 0.62563 1.00000
Tc1 Tc 0.00968 1.00000 0.00000 1.00000
Tc2 Tc 0.00968 0.50000 0.00000 1.00000
Tc3 Tc 0.49516 0.40712 0.73991 1.00000
Tc4 Tc 0.75525 0.59288 0.26009 1.00000
Tc5 Tc 0.75525 0.16721 0.26009 1.00000
Tc6 Tc 0.49516 0.83279 0.73991 1.00000
P1 P 0.71260 0.22109 0.94217 1.00000
P2 P 0.77043 0.77891 0.05783 1.00000
P3 P 0.42421 0.17127 0.33527 1.00000
P4 P 0.08894 0.82873 0.66473 1.00000
P5 P 0.08894 0.33600 0.66473 1.00000
P6 P 0.42421 0.66400 0.33527 1.00000
获取直接链接