Y8Mn2Ir3
Alexandria ALEXAlex-ID: agm011849136 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_124_spg12
Y3Ir Y5Ir2 Mn
2024-07-10 15:39:52.115187
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011849136).
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 agm011849136
data_agm011849136
_cell_length_a 7.42435
_cell_length_b 7.42435
_cell_length_c 7.23927
_cell_angle_alpha 89.87666
_cell_angle_beta 89.87666
_cell_angle_gamma 61.74778
_cell_volume 351.49839
_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 0.35627 0.35627 0.79235 1.00000
Y2 Y 0.64373 0.64373 0.20765 1.00000
Y3 Y 0.89281 0.89281 0.86233 1.00000
Y4 Y 0.10719 0.10719 0.13767 1.00000
Y5 Y 0.84182 0.38270 0.68152 1.00000
Y6 Y 0.38270 0.84182 0.68152 1.00000
Y7 Y 0.61730 0.15818 0.31848 1.00000
Y8 Y 0.15818 0.61730 0.31848 1.00000
Mn1 Mn 0.78480 0.78480 0.52064 1.00000
Mn2 Mn 0.21520 0.21520 0.47936 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
Ir2 Ir 0.30302 0.69698 0.00000 1.00000
Ir3 Ir 0.69698 0.30302 0.00000 1.00000
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