In3Ge2I7
Alexandria ALEXAlex-ID: agm101722397 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_319_spg12
InI2 GeI2 Ge
2025-05-16 11:21:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101722397).
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 agm101722397
data_agm101722397
_cell_length_a 7.73003
_cell_length_b 7.62013
_cell_length_c 11.97098
_cell_angle_alpha 68.36447
_cell_angle_beta 74.62914
_cell_angle_gamma 57.83080
_cell_volume 552.70998
_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
In1 In 0.98108 0.04267 0.00772 1.00000
In2 In 0.56005 0.79529 0.42436 1.00000
In3 In 0.32404 0.13022 0.61434 1.00000
Ge1 Ge 0.83995 0.61124 0.90410 1.00000
Ge2 Ge 0.19990 0.31971 0.07912 1.00000
I1 I 0.58392 0.35402 0.49619 1.00000
I2 I 0.87932 0.65417 0.18066 1.00000
I3 I 0.18095 0.97929 0.26296 1.00000
I4 I 0.50585 0.33139 0.14112 1.00000
I5 I 0.12084 0.75470 0.80869 1.00000
I6 I 0.84121 0.51608 0.70199 1.00000
I7 I 0.48288 0.01123 0.87876 1.00000
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