CoTc
Alexandria ALEXAlex-ID: agm003201977 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_37_spg8
CoTc
2021-12-03 00:09:11.727340
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201977).
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 agm003201977
data_agm003201977
_cell_length_a 2.61663
_cell_length_b 4.91273
_cell_length_c 6.23819
_cell_angle_alpha 76.25436
_cell_angle_beta 90.00000
_cell_angle_gamma 105.44494
_cell_volume 74.90939
_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
Co1 Co 0.00121 0.00242 0.99838 1.00000
Co2 Co 0.39286 0.78571 0.72239 1.00000
Co3 Co 0.32989 0.65979 0.33698 1.00000
Tc1 Tc 0.66991 0.33982 0.67086 1.00000
Tc2 Tc 0.04401 0.08802 0.38672 1.00000
Tc3 Tc 0.72879 0.45758 0.05133 1.00000
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