RbZnReH6
Alexandria ALEXAlex-ID: agm007660293 · 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
ABCD6_124_spg1
ZnH2 Rb2ReH9 Zn Re8H
2024-02-08 05:32:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007660293).
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 agm007660293
data_agm007660293
_cell_length_a 3.52240
_cell_length_b 4.96642
_cell_length_c 6.61178
_cell_angle_alpha 105.13838
_cell_angle_beta 88.61563
_cell_angle_gamma 110.92643
_cell_volume 103.97944
_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
Rb1 Rb 0.12184 0.12194 0.97145 1.00000
Zn1 Zn 0.43534 0.72507 0.45488 1.00000
Re1 Re 0.70693 0.30796 0.48983 1.00000
H1 H 0.54101 0.46783 0.70724 1.00000
H2 H 0.82323 0.51953 0.30136 1.00000
H3 H 0.53462 0.98774 0.26520 1.00000
H4 H 0.15052 0.16881 0.47602 1.00000
H5 H 0.64691 0.09176 0.66585 1.00000
H6 H 0.03956 0.60955 0.66828 1.00000
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