Er3InGe2
Alexandria ALEXAlex-ID: agm005798505 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_386_spg107
Er4Ge3 ErIn3
2023-08-29 15:24:19.500399
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005798505).
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 agm005798505
data_agm005798505
_cell_length_a 4.30017
_cell_length_b 4.27345
_cell_length_c 8.36371
_cell_angle_alpha 104.82799
_cell_angle_beta 104.92490
_cell_angle_gamma 90.00332
_cell_volume 143.20701
_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
Er1 Er 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.82456 0.32499 0.64963 1.00000
Er3 Er 0.17544 0.67501 0.35037 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.35998 0.86024 0.72031 1.00000
Ge2 Ge 0.64002 0.13976 0.27969 1.00000
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