Co3GeSb5
Alexandria ALEXAlex-ID: agm005962907 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_13_spg10
CoGe CoSb3 CoSb
2023-07-31 19:17:45.232998
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962907).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005962907
data_agm005962907
_cell_length_a 3.26388
_cell_length_b 5.62944
_cell_length_c 19.18517
_cell_angle_alpha 90.32685
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 352.49986
_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 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.00000 0.00663 0.67020 1.00000
Co3 Co 0.00000 0.99337 0.32980 1.00000
Co4 Co 0.50000 0.49107 0.83226 1.00000
Co5 Co 0.50000 0.50000 0.50000 1.00000
Co6 Co 0.50000 0.50893 0.16774 1.00000
Ge1 Ge 0.00000 0.79655 0.21574 1.00000
Ge2 Ge 0.00000 0.20345 0.78426 1.00000
Sb1 Sb 0.50000 0.70231 0.71752 1.00000
Sb2 Sb 0.50000 0.69693 0.04927 1.00000
Sb3 Sb 0.50000 0.69283 0.37920 1.00000
Sb4 Sb 0.00000 0.81403 0.87724 1.00000
Sb5 Sb 0.00000 0.80647 0.54928 1.00000
Sb6 Sb 0.00000 0.19353 0.45072 1.00000
Sb7 Sb 0.00000 0.18597 0.12276 1.00000
Sb8 Sb 0.50000 0.30307 0.95073 1.00000
Sb9 Sb 0.50000 0.30717 0.62080 1.00000
Sb10 Sb 0.50000 0.29769 0.28248 1.00000
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