Mn(CoIr2)2
Alexandria ALEXAlex-ID: agm005963631 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1504_spg65
MnIr7 Co MnIr3
2023-10-13 19:50:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963631).
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 agm005963631
data_agm005963631
_cell_length_a 2.68972
_cell_length_b 3.73366
_cell_length_c 9.81166
_cell_angle_alpha 90.00000
_cell_angle_beta 97.87819
_cell_angle_gamma 90.00000
_cell_volume 97.60345
_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
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
Co1 Co 0.79885 0.50000 0.59771 1.00000
Co2 Co 0.20115 0.50000 0.40229 1.00000
Ir1 Ir 0.93182 0.50000 0.86364 1.00000
Ir2 Ir 0.64176 0.00000 0.28353 1.00000
Ir3 Ir 0.06818 0.50000 0.13636 1.00000
Ir4 Ir 0.35824 0.00000 0.71647 1.00000
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