Ta(V3Co2)2
Alexandria ALEXAlex-ID: agm003662364 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_23_spg121
V2Co Ta2VCo3 V3Co
2022-04-08 13:46:39.485191
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662364).
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 agm003662364
data_agm003662364
_cell_length_a 6.13339
_cell_length_b 6.13339
_cell_length_c 6.13339
_cell_angle_alpha 83.74188
_cell_angle_beta 123.67655
_cell_angle_gamma 123.67655
_cell_volume 153.08367
_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 1.00000 0.92115 0.52738 1.00000
V2 V 1.00000 0.52738 0.92115 1.00000
V3 V 0.60624 0.07885 0.07885 1.00000
V4 V 0.50000 0.00000 0.50000 1.00000
V5 V 0.39376 0.47262 0.47262 1.00000
V6 V 0.50000 0.50000 0.00000 1.00000
Co1 Co 1.00000 0.26646 0.58361 1.00000
Co2 Co 0.68285 0.41639 0.41639 1.00000
Co3 Co 1.00000 0.58361 0.26646 1.00000
Co4 Co 0.31715 0.73354 0.73354 1.00000
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