Fe4Ir3Rh2
Alexandria ALEXAlex-ID: agm005644487 · 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
A2B3C4_298_spg12
FeIr2Rh Fe2Rh FeIr
2023-06-27 00:19:57.888035
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644487).
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 agm005644487
data_agm005644487
_cell_length_a 3.77628
_cell_length_b 4.56895
_cell_length_c 7.96172
_cell_angle_alpha 105.22979
_cell_angle_beta 90.00000
_cell_angle_gamma 114.40942
_cell_volume 119.77210
_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
Fe1 Fe 0.33324 0.66648 0.10793 1.00000
Fe2 Fe 0.99806 0.99612 0.66637 1.00000
Fe3 Fe 0.00194 0.00388 0.33363 1.00000
Fe4 Fe 0.66676 0.33352 0.89207 1.00000
Ir1 Ir 0.66347 0.32693 0.55759 1.00000
Ir2 Ir 0.00000 0.00000 0.00000 1.00000
Ir3 Ir 0.33653 0.67307 0.44241 1.00000
Rh1 Rh 0.66730 0.33460 0.22014 1.00000
Rh2 Rh 0.33270 0.66540 0.77986 1.00000
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