Sr3SnGe
Alexandria ALEXAlex-ID: agm003723398 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4415_spg194
Sr5SnGe2 SrSn
2022-04-30 05:01:04.907175
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003723398).
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 agm003723398
data_agm003723398
_cell_length_a 5.41143
_cell_length_b 8.81608
_cell_length_c 8.81608
_cell_angle_alpha 119.98738
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 364.29180
_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 0.25000 0.81032 0.18968 1.00000
Sr2 Sr 0.75000 0.18968 0.81032 1.00000
Sr3 Sr 0.25000 0.81023 0.62074 1.00000
Sr4 Sr 0.75000 0.18977 0.37926 1.00000
Sr5 Sr 0.25000 0.37926 0.18977 1.00000
Sr6 Sr 0.75000 0.62074 0.81023 1.00000
Sn1 Sn 0.25000 0.33347 0.66653 1.00000
Sn2 Sn 0.75000 0.66653 0.33347 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.50000 0.00000 0.00000 1.00000
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