K6VO8
Alexandria ALEXAlex-ID: agm072149921 · 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
AB6C8_1099_spg1
K5O6 K2O3 K3VO4
2024-10-07 06:00:13.262286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072149921).
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 agm072149921
data_agm072149921
_cell_length_a 6.08966
_cell_length_b 7.76802
_cell_length_c 7.77433
_cell_angle_alpha 95.60326
_cell_angle_beta 90.22942
_cell_angle_gamma 91.10947
_cell_volume 365.92899
_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
K1 K 0.74961 0.17129 0.56460 1.00000
K2 K 0.74837 0.60809 0.15042 1.00000
K3 K 0.81251 0.20066 0.13954 1.00000
K4 K 0.25623 0.46073 0.86913 1.00000
K5 K 0.23696 0.88333 0.38164 1.00000
K6 K 0.77221 0.59112 0.61271 1.00000
V1 V 0.28114 0.44497 0.38117 1.00000
O1 O 0.78288 0.84900 0.42224 1.00000
O2 O 0.20010 0.55426 0.20473 1.00000
O3 O 0.67386 0.92762 0.28971 1.00000
O4 O 0.87019 0.36844 0.85811 1.00000
O5 O 0.56193 0.39728 0.36339 1.00000
O6 O 0.63571 0.35654 0.86697 1.00000
O7 O 0.24561 0.59119 0.56571 1.00000
O8 O 0.12426 0.25481 0.39311 1.00000
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