Na2Cd3Ga2
Alexandria ALEXAlex-ID: agm010083265 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_1744_spg2
NaCd2 NaGa4
2024-03-17 15:15:15.781332
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010083265).
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 agm010083265
data_agm010083265
_cell_length_a 5.67362
_cell_length_b 5.92549
_cell_length_c 5.89432
_cell_angle_alpha 78.98821
_cell_angle_beta 76.55758
_cell_angle_gamma 58.80809
_cell_volume 164.27527
_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 0.31049 0.34060 0.09341 1.00000
Na2 Na 0.68951 0.65940 0.90659 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.21154 0.71281 0.55682 1.00000
Cd3 Cd 0.78846 0.28719 0.44318 1.00000
Ga1 Ga 0.27619 0.18598 0.62747 1.00000
Ga2 Ga 0.72381 0.81402 0.37253 1.00000
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