Co3Ir2
Alexandria ALEXAlex-ID: agm007900550 · 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
A2B3_3770_spg2
Ir Co
2024-03-04 08:50:42.455784
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007900550).
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 agm007900550
data_agm007900550
_cell_length_a 6.86157
_cell_length_b 6.86157
_cell_length_c 6.86157
_cell_angle_alpha 157.84461
_cell_angle_beta 149.60662
_cell_angle_gamma 37.93240
_cell_volume 61.55021
_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 0.20092 0.70092 0.50000 1.00000
Co2 Co 0.79908 0.29908 0.50000 1.00000
Co3 Co 0.00000 0.50000 0.50000 1.00000
Ir1 Ir 0.39735 0.89735 0.50000 1.00000
Ir2 Ir 0.60265 0.10265 0.50000 1.00000
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