La2Sn5Ge
Alexandria ALEXAlex-ID: agm006019604 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_414_spg107
La4Ge7 LaSn3 Ge
2023-08-25 17:31:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019604).
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 agm006019604
data_agm006019604
_cell_length_a 6.69290
_cell_length_b 6.69289
_cell_length_c 6.74705
_cell_angle_alpha 60.26422
_cell_angle_beta 60.27072
_cell_angle_gamma 90.00353
_cell_volume 215.42131
_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
La1 La 0.15520 0.65531 0.68996 1.00000
La2 La 0.65460 0.15495 0.68989 1.00000
Sn1 Sn 0.65876 0.65890 0.18953 1.00000
Sn2 Sn 0.65970 0.15115 0.18914 1.00000
Sn3 Sn 0.15126 0.65875 0.19000 1.00000
Sn4 Sn 0.15156 0.15160 0.18984 1.00000
Sn5 Sn 0.65517 0.65482 0.69002 1.00000
Ge1 Ge 0.13676 0.13752 0.72562 1.00000
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