SrIn2Ga6Ir
Alexandria ALEXAlex-ID: agm071522497 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_2690_spg212
Ga3Ir Sr2(Ga3Ir)3 SrGa4 In
2024-09-10 01:28:30.035317
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071522497).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm071522497
data_agm071522497
_cell_length_a 9.48632
_cell_length_b 9.48632
_cell_length_c 9.48632
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 853.67704
_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
Sr1 Sr 0.62500 0.62500 0.62500 1.00000
Sr2 Sr 0.87500 0.37500 0.12500 1.00000
Sr3 Sr 0.37500 0.12500 0.87500 1.00000
Sr4 Sr 0.12500 0.87500 0.37500 1.00000
In1 In 0.41031 0.41031 0.41031 1.00000
In2 In 0.08969 0.58969 0.91031 1.00000
In3 In 0.58969 0.91031 0.08969 1.00000
In4 In 0.91031 0.08969 0.58969 1.00000
In5 In 0.66031 0.16031 0.33969 1.00000
In6 In 0.83969 0.83969 0.83969 1.00000
In7 In 0.16031 0.33969 0.66031 1.00000
In8 In 0.33969 0.66031 0.16031 1.00000
Ga1 Ga 0.90004 0.72983 0.13150 1.00000
Ga2 Ga 0.59996 0.27017 0.63150 1.00000
Ga3 Ga 0.09996 0.22983 0.36850 1.00000
Ga4 Ga 0.40004 0.77017 0.86850 1.00000
Ga5 Ga 0.13150 0.90004 0.72983 1.00000
Ga6 Ga 0.63150 0.59996 0.27017 1.00000
Ga7 Ga 0.36850 0.09996 0.22983 1.00000
Ga8 Ga 0.86850 0.40004 0.77017 1.00000
Ga9 Ga 0.72983 0.13150 0.90004 1.00000
Ga10 Ga 0.27017 0.63150 0.59996 1.00000
Ga11 Ga 0.22983 0.36850 0.09996 1.00000
Ga12 Ga 0.77017 0.86850 0.40004 1.00000
Ga13 Ga 0.97983 0.65004 0.61850 1.00000
Ga14 Ga 0.52017 0.34996 0.11850 1.00000
Ga15 Ga 0.47983 0.84996 0.38150 1.00000
Ga16 Ga 0.02017 0.15004 0.88150 1.00000
Ga17 Ga 0.15004 0.88150 0.02017 1.00000
Ga18 Ga 0.84996 0.38150 0.47983 1.00000
Ga19 Ga 0.34996 0.11850 0.52017 1.00000
Ga20 Ga 0.65004 0.61850 0.97983 1.00000
Ga21 Ga 0.38150 0.47983 0.84996 1.00000
Ga22 Ga 0.88150 0.02017 0.15004 1.00000
Ga23 Ga 0.61850 0.97983 0.65004 1.00000
Ga24 Ga 0.11850 0.52017 0.34996 1.00000
Ir1 Ir 0.12500 0.12500 0.12500 1.00000
Ir2 Ir 0.37500 0.87500 0.62500 1.00000
Ir3 Ir 0.87500 0.62500 0.37500 1.00000
Ir4 Ir 0.62500 0.37500 0.87500 1.00000
