NaZn2H8Pt
Alexandria ALEXAlex-ID: agm007258494 · 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
ABC2D8_7_spg1
ZnH2 Zn3Pt Na2H6Pt H2
2024-02-09 03:55:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007258494).
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 agm007258494
data_agm007258494
_cell_length_a 4.26806
_cell_length_b 4.83433
_cell_length_c 6.24630
_cell_angle_alpha 104.62406
_cell_angle_beta 89.57630
_cell_angle_gamma 84.20557
_cell_volume 123.99615
_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 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.47171 0.26310 0.83784 1.00000
Zn2 Zn 0.52829 0.73690 0.16216 1.00000
H1 H 0.25794 0.18099 0.16016 1.00000
H2 H 0.84041 0.97992 0.24011 1.00000
H3 H 0.76136 0.33756 0.04038 1.00000
H4 H 0.74206 0.81901 0.83984 1.00000
H5 H 0.15959 0.02008 0.75989 1.00000
H6 H 0.23864 0.66244 0.95962 1.00000
H7 H 0.51750 0.29742 0.59220 1.00000
H8 H 0.48250 0.70258 0.40780 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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