Y2CoGe5Ir2
Alexandria ALEXAlex-ID: agm040281072 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_56_spg15
Co5Ge7 Y(Co2Ge3)2 Y4Ge6Ir7 YGe2Ir
2024-11-07 05:38:01.712370
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040281072).
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 agm040281072
data_agm040281072
_cell_length_a 8.26945
_cell_length_b 8.26945
_cell_length_c 5.87266
_cell_angle_alpha 71.52729
_cell_angle_beta 71.52729
_cell_angle_gamma 94.19417
_cell_volume 354.49097
_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
Y1 Y 0.13051 0.41172 0.73340 1.00000
Y2 Y 0.58828 0.86949 0.76660 1.00000
Y3 Y 0.86949 0.58828 0.26660 1.00000
Y4 Y 0.41172 0.13051 0.23340 1.00000
Co1 Co 0.99417 0.00583 0.75000 1.00000
Co2 Co 0.00583 0.99417 0.25000 1.00000
Ge1 Ge 0.92553 0.74987 0.66554 1.00000
Ge2 Ge 0.25013 0.07447 0.83446 1.00000
Ge3 Ge 0.07447 0.25013 0.33446 1.00000
Ge4 Ge 0.74987 0.92553 0.16554 1.00000
Ge5 Ge 0.48514 0.51486 0.75000 1.00000
Ge6 Ge 0.51486 0.48514 0.25000 1.00000
Ge7 Ge 0.79733 0.20267 0.75000 1.00000
Ge8 Ge 0.20267 0.79733 0.25000 1.00000
Ge9 Ge 0.22067 0.77933 0.75000 1.00000
Ge10 Ge 0.77933 0.22067 0.25000 1.00000
Ir1 Ir 0.74410 0.45823 0.87027 1.00000
Ir2 Ir 0.54177 0.25590 0.62973 1.00000
Ir3 Ir 0.25590 0.54177 0.12973 1.00000
Ir4 Ir 0.45823 0.74410 0.37027 1.00000
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