MgReIr
Alexandria ALEXAlex-ID: agm003100764 · 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
ABC_33_spg12
Re3Ir Mg3Ir MgIr
2023-03-26 06:09:44.606970
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003100764).
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 agm003100764
data_agm003100764
_cell_length_a 4.19966
_cell_length_b 5.27260
_cell_length_c 5.60265
_cell_angle_alpha 86.03684
_cell_angle_beta 111.96273
_cell_angle_gamma 113.41807
_cell_volume 105.11744
_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
Re1 Re 0.74096 0.77246 0.26915 1.00000
Re2 Re 0.58302 0.31123 0.41458 1.00000
Mg1 Mg 0.41866 0.72952 0.66673 1.00000
Mg2 Mg 0.90527 0.35380 0.01691 1.00000
Ir1 Ir 0.10759 0.15303 0.62172 1.00000
Ir2 Ir 0.21637 0.93061 0.06202 1.00000
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