TiV14Cr
Alexandria ALEXAlex-ID: agm005807818 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_15_spg38
V5Cr2 Ti V
2023-07-19 05:08:27.171132
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807818).
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 agm005807818
data_agm005807818
_cell_length_a 5.19618
_cell_length_b 5.19618
_cell_length_c 8.49875
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.00099
_cell_volume 216.96583
_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
Ti1 Ti 0.12500 0.87500 0.50000 1.00000
V1 V 0.12502 0.87498 0.00000 1.00000
V2 V 0.62498 0.37502 0.00000 1.00000
V3 V 0.12493 0.37501 0.50000 1.00000
V4 V 0.12501 0.37499 0.00000 1.00000
V5 V 0.62499 0.87507 0.50000 1.00000
V6 V 0.62501 0.87499 0.00000 1.00000
V7 V 0.38596 0.13597 0.75056 1.00000
V8 V 0.38596 0.13597 0.24944 1.00000
V9 V 0.86403 0.61404 0.75056 1.00000
V10 V 0.86403 0.61404 0.24944 1.00000
V11 V 0.37113 0.62887 0.75114 1.00000
V12 V 0.37113 0.62887 0.24886 1.00000
V13 V 0.87892 0.12108 0.75113 1.00000
V14 V 0.87892 0.12108 0.24887 1.00000
Cr1 Cr 0.62497 0.37503 0.50000 1.00000
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