Y4Co2I5
Alexandria ALEXAlex-ID: agm005684609 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_397_spg12
Y7CoI12 YCoI Y2Co2I
2023-06-21 12:10:23.623017
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684609).
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 agm005684609
data_agm005684609
_cell_length_a 4.10993
_cell_length_b 8.60873
_cell_length_c 11.24349
_cell_angle_alpha 112.50919
_cell_angle_beta 100.53116
_cell_angle_gamma 90.00000
_cell_volume 360.23947
_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 0.66782 0.66782 0.33564 1.00000
Y2 Y 0.00000 0.30280 0.00000 1.00000
Y3 Y 0.33218 0.33218 0.66436 1.00000
Y4 Y 1.00000 0.69720 1.00000 1.00000
Co1 Co 0.55197 0.55197 0.10394 1.00000
Co2 Co 0.44803 0.44803 0.89606 1.00000
I1 I 0.16486 0.39280 0.32971 1.00000
I2 I 0.83514 0.60720 0.67029 1.00000
I3 I 0.16486 0.93692 0.32971 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.83514 0.06308 0.67029 1.00000
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