Na3(GaSn)4
Alexandria ALEXAlex-ID: agm009646019 · 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
A3B4C4_0_spg71
NaGaSn NaGa4 Sn
2024-04-19 09:52:21.851622
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009646019).
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 agm009646019
data_agm009646019
_cell_length_a 13.93270
_cell_length_b 13.93270
_cell_length_c 13.93270
_cell_angle_alpha 159.59886
_cell_angle_beta 161.09126
_cell_angle_gamma 27.95562
_cell_volume 305.38943
_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 0.13294 0.13294 0.00000 1.00000
Na2 Na 0.86706 0.86706 0.00000 1.00000
Na3 Na 0.50000 0.00000 0.50000 1.00000
Ga1 Ga 0.69169 0.69169 0.00000 1.00000
Ga2 Ga 0.04518 0.54518 0.50000 1.00000
Ga3 Ga 0.95482 0.45482 0.50000 1.00000
Ga4 Ga 0.30831 0.30831 0.00000 1.00000
Sn1 Sn 0.25342 0.75342 0.50000 1.00000
Sn2 Sn 0.40647 0.40647 0.00000 1.00000
Sn3 Sn 0.59353 0.59353 0.00000 1.00000
Sn4 Sn 0.74658 0.24658 0.50000 1.00000
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