TaV6Pt
Alexandria ALEXAlex-ID: agm005819829 · 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
ABC6_253_spg12
V8Pt V3Pt TaV2
2023-07-25 07:05:28.774564
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005819829).
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 agm005819829
data_agm005819829
_cell_length_a 5.20967
_cell_length_b 5.12444
_cell_length_c 5.12444
_cell_angle_alpha 119.31155
_cell_angle_beta 95.53316
_cell_angle_gamma 95.53318
_cell_volume 117.09729
_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 0.00000 0.00000 0.00000 1.00000
V1 V 0.75700 0.01793 0.51302 1.00000
V2 V 0.75700 0.51302 0.01793 1.00000
V3 V 0.24300 0.48698 0.98207 1.00000
V4 V 0.24300 0.98207 0.48698 1.00000
V5 V 0.75736 0.51067 0.51067 1.00000
V6 V 0.24264 0.48933 0.48933 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
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