CsNbV(O2F)2
Alexandria ALEXAlex-ID: agm010868435 · 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
NbVO4 Cs2Nb2(OF2)3 Cs2VF5 Cs2V3O8 CsNbV2O8
2024-04-09 19:24:20.410940
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010868435).
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 agm010868435
data_agm010868435
_cell_length_a 7.37953
_cell_length_b 7.37953
_cell_length_c 7.39728
_cell_angle_alpha 61.14009
_cell_angle_beta 61.14009
_cell_angle_gamma 90.62452
_cell_volume 292.95493
_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
Cs1 Cs 0.38475 0.64767 0.72820 1.00000
Cs2 Cs 0.64767 0.38475 0.22820 1.00000
Nb1 Nb 0.01709 0.01699 0.98022 1.00000
Nb2 Nb 0.01699 0.01709 0.48022 1.00000
V1 V 0.49309 0.98577 0.02562 1.00000
V2 V 0.98577 0.49309 0.52562 1.00000
O1 O 0.67243 0.93199 0.11836 1.00000
O2 O 0.03943 0.91428 0.77094 1.00000
O3 O 0.93199 0.67243 0.61836 1.00000
O4 O 0.03394 0.30467 0.40518 1.00000
O5 O 0.06069 0.30847 0.75690 1.00000
O6 O 0.91428 0.03943 0.27094 1.00000
O7 O 0.30467 0.03394 0.90518 1.00000
O8 O 0.30847 0.06069 0.25690 1.00000
F1 F 0.66249 0.91367 0.76783 1.00000
F2 F 0.66740 0.30511 0.76676 1.00000
F3 F 0.91367 0.66249 0.26783 1.00000
F4 F 0.30511 0.66740 0.26676 1.00000
获取直接链接