Na5MgGa4
Alexandria ALEXAlex-ID: agm006126342 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_530_spg12
Mg2Ga Na7Ga13 Na
2023-10-17 15:21:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126342).
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 agm006126342
data_agm006126342
_cell_length_a 4.13409
_cell_length_b 8.25182
_cell_length_c 10.42647
_cell_angle_alpha 126.58652
_cell_angle_beta 101.43460
_cell_angle_gamma 90.00000
_cell_volume 276.75897
_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 0.16374 0.31201 0.32748 1.00000
Na2 Na 0.17897 0.76972 0.35794 1.00000
Na3 Na 0.82103 0.23028 0.64206 1.00000
Na4 Na 0.50000 0.50000 0.00000 1.00000
Na5 Na 0.83626 0.68799 0.67252 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Ga1 Ga 0.63250 0.98189 0.26500 1.00000
Ga2 Ga 0.96866 0.18487 0.93733 1.00000
Ga3 Ga 0.36750 0.01811 0.73500 1.00000
Ga4 Ga 0.03134 0.81513 0.06267 1.00000
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