Mg2SbIr
Alexandria ALEXAlex-ID: agm002851215 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_317_spg122
MgSbIr Mg3Sb2 MgIr
2017-01-04 05:02:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002851215).
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 agm002851215
data_agm002851215
_cell_length_a 10.09219
_cell_length_b 10.09219
_cell_length_c 7.55334
_cell_angle_alpha 48.08243
_cell_angle_beta 48.08243
_cell_angle_gamma 90.00000
_cell_volume 252.11041
_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
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.25000 0.75000 0.50000 1.00000
Mg1 Mg 0.87421 0.12500 0.25000 1.00000
Mg2 Mg 0.87579 0.62500 0.25000 1.00000
Mg3 Mg 0.37500 0.12579 0.75000 1.00000
Mg4 Mg 0.87500 0.12421 0.75000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.75000 0.25000 0.50000 1.00000
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