Na2ZnGaH6
Alexandria ALEXAlex-ID: agm007393441 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_267_spg1
Na2ZnH4 NaGaH4 Zn
2024-02-09 06:39:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007393441).
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 agm007393441
data_agm007393441
_cell_length_a 4.22801
_cell_length_b 5.24259
_cell_length_c 7.01917
_cell_angle_alpha 97.31563
_cell_angle_beta 101.93545
_cell_angle_gamma 113.93841
_cell_volume 135.18981
_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 0.10716 0.48198 0.71461 1.00000
Na2 Na 0.68844 0.35261 0.12829 1.00000
Zn1 Zn 0.87232 0.92777 0.85690 1.00000
Ga1 Ga 0.58037 0.88033 0.42818 1.00000
H1 H 0.21477 0.60903 0.41105 1.00000
H2 H 0.72759 0.60051 0.86339 1.00000
H3 H 0.08953 0.24446 0.99074 1.00000
H4 H 0.94749 0.94350 0.62174 1.00000
H5 H 0.55654 0.17775 0.43268 1.00000
H6 H 0.73813 0.81648 0.24989 1.00000
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