RbZrNb(O2F)2
Alexandria ALEXAlex-ID: agm010875484 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2E4_33_spg9
Rb2ZrNb6O18 Rb2ZrF6 ZrO2
2024-06-24 11:31:55.453239
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010875484).
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 agm010875484
data_agm010875484
_cell_length_a 7.25723
_cell_length_b 7.25723
_cell_length_c 7.73210
_cell_angle_alpha 65.33048
_cell_angle_beta 65.33048
_cell_angle_gamma 96.15889
_cell_volume 316.14501
_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 0.26596 0.54386 0.93591 1.00000
Rb2 Rb 0.54386 0.26596 0.43591 1.00000
Zr1 Zr 0.98396 0.99030 0.98998 1.00000
Zr2 Zr 0.99030 0.98396 0.48998 1.00000
Nb1 Nb 0.41397 0.94892 0.12201 1.00000
Nb2 Nb 0.94892 0.41397 0.62201 1.00000
O1 O 0.72382 0.08901 0.94350 1.00000
O2 O 0.06760 0.94119 0.72257 1.00000
O3 O 0.08901 0.72382 0.44350 1.00000
O4 O 0.99304 0.30460 0.43852 1.00000
O5 O 0.12339 0.33944 0.74026 1.00000
O6 O 0.94119 0.06760 0.22257 1.00000
O7 O 0.30460 0.99304 0.93852 1.00000
O8 O 0.33944 0.12339 0.24026 1.00000
F1 F 0.66604 0.86014 0.69720 1.00000
F2 F 0.66013 0.44431 0.73012 1.00000
F3 F 0.86014 0.66604 0.19720 1.00000
F4 F 0.44431 0.66013 0.23012 1.00000
获取直接链接