InFe2GeH8
Alexandria ALEXAlex-ID: agm007474472 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_45_spg166
FeH In FeGe GeH8
2025-05-28 04:45:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007474472).
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 agm007474472
data_agm007474472
_cell_length_a 3.43653
_cell_length_b 4.44072
_cell_length_c 6.38964
_cell_angle_alpha 83.64059
_cell_angle_beta 83.49848
_cell_angle_gamma 77.96909
_cell_volume 94.37302
_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 0.50000 0.50000 0.50000 1.00000
Fe1 Fe 0.21773 0.39747 0.16576 1.00000
Fe2 Fe 0.78227 0.60253 0.83424 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
H1 H 0.92547 0.28506 0.73094 1.00000
H2 H 0.66404 0.52663 0.10836 1.00000
H3 H 0.07453 0.71494 0.26906 1.00000
H4 H 0.33596 0.47337 0.89164 1.00000
H5 H 0.50290 0.08086 0.19742 1.00000
H6 H 0.49710 0.91914 0.80258 1.00000
H7 H 0.09768 0.20568 0.36788 1.00000
H8 H 0.90232 0.79432 0.63212 1.00000
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