RbZr2H7
Alexandria ALEXAlex-ID: agm006201762 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1103_spg38
RbH7 ZrH2 RbH
2023-12-02 15:25:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201762).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006201762
data_agm006201762
_cell_length_a 4.88892
_cell_length_b 3.56567
_cell_length_c 10.63097
_cell_angle_alpha 120.85770
_cell_angle_beta 61.37960
_cell_angle_gamma 136.72402
_cell_volume 107.28765
_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
H1 H 0.75805 0.41939 0.47880 1.00000
H2 H 0.20296 0.14700 0.58750 1.00000
H3 H 0.62664 0.66618 0.74123 1.00000
H4 H 0.88635 0.17098 0.21814 1.00000
H5 H 0.25389 0.48834 0.48450 1.00000
H6 H 0.37876 0.19515 0.23507 1.00000
H7 H 0.11909 0.70682 0.75728 1.00000
Rb1 Rb 0.00153 0.43405 0.98965 1.00000
Zr1 Zr 0.68480 0.02762 0.62298 1.00000
Zr2 Zr 0.32032 0.80187 0.35301 1.00000
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