Sc4Co7Ge9
Alexandria ALEXAlex-ID: agm008596347 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7C9_4_spg5
Sc4Co4Ge7 Sc(Co2Ge3)2 Sc4Co7Ge6
2024-05-15 13:51:11.530235
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008596347).
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 agm008596347
data_agm008596347
_cell_length_a 7.94555
_cell_length_b 7.94555
_cell_length_c 5.42669
_cell_angle_alpha 72.13232
_cell_angle_beta 72.13232
_cell_angle_gamma 96.31248
_cell_volume 302.36602
_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
Sc1 Sc 0.62568 0.91595 0.47837 1.00000
Sc2 Sc 0.37341 0.07892 0.01191 1.00000
Sc3 Sc 0.08405 0.37432 0.52163 1.00000
Sc4 Sc 0.92108 0.62659 0.98809 1.00000
Co1 Co 0.23465 0.95225 0.62860 1.00000
Co2 Co 0.76206 0.04694 0.87636 1.00000
Co3 Co 0.04775 0.76535 0.37140 1.00000
Co4 Co 0.95306 0.23794 0.12364 1.00000
Co5 Co 0.49599 0.50401 0.50000 1.00000
Co6 Co 0.51122 0.48878 0.00000 1.00000
Co7 Co 0.28399 0.71601 0.00000 1.00000
Ge1 Ge 0.40740 0.23513 0.42965 1.00000
Ge2 Ge 0.57418 0.76449 0.06229 1.00000
Ge3 Ge 0.76487 0.59260 0.57035 1.00000
Ge4 Ge 0.23551 0.42582 0.93771 1.00000
Ge5 Ge 0.01300 0.98700 0.00000 1.00000
Ge6 Ge 0.98717 0.01283 0.50000 1.00000
Ge7 Ge 0.70883 0.29117 0.00000 1.00000
Ge8 Ge 0.72486 0.27514 0.50000 1.00000
Ge9 Ge 0.29139 0.70861 0.50000 1.00000
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