V7Tc5
Alexandria ALEXAlex-ID: agm065514735 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B7_662_spg71
V3Tc2 VTc
2024-10-26 07:34:39.538857
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065514735).
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 agm065514735
data_agm065514735
_cell_length_a 7.40163
_cell_length_b 7.40163
_cell_length_c 7.40163
_cell_angle_alpha 146.51470
_cell_angle_beta 131.91745
_cell_angle_gamma 59.86185
_cell_volume 164.96539
_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 0.00000 0.00000 0.00000 1.00000
V2 V 0.91707 0.16611 0.75096 1.00000
V3 V 0.41516 0.16611 0.24904 1.00000
V4 V 0.75117 0.50000 0.25117 1.00000
V5 V 0.24883 0.50000 0.74883 1.00000
V6 V 0.58484 0.83389 0.75096 1.00000
V7 V 0.08293 0.83389 0.24904 1.00000
Tc1 Tc 0.83394 0.33394 0.50000 1.00000
Tc2 Tc 0.66676 0.66676 0.00000 1.00000
Tc3 Tc 0.50000 0.00000 0.50000 1.00000
Tc4 Tc 0.33324 0.33324 0.00000 1.00000
Tc5 Tc 0.16606 0.66606 0.50000 1.00000
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