Na2Sr2GaGe4
Alexandria ALEXAlex-ID: agm004568751 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_166_spg139
NaSrGe2 SrGaGe NaGe
2022-06-19 16:29:07.435404
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004568751).
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 agm004568751
data_agm004568751
_cell_length_a 6.81070
_cell_length_b 6.81070
_cell_length_c 6.81070
_cell_angle_alpha 89.37334
_cell_angle_beta 120.36246
_cell_angle_gamma 120.36246
_cell_volume 222.15016
_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
Na1 Na 1.00000 0.71014 0.71014 1.00000
Na2 Na 0.00000 0.28986 0.28986 1.00000
Sr1 Sr 0.50000 0.75000 0.25000 1.00000
Sr2 Sr 0.50000 0.25000 0.75000 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.00000 0.72729 0.27271 1.00000
Ge2 Ge 0.45457 0.72729 0.72729 1.00000
Ge3 Ge 0.00000 0.27271 0.72729 1.00000
Ge4 Ge 0.54543 0.27271 0.27271 1.00000
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