NaV2As5O16
Alexandria ALEXAlex-ID: agm008908810 · 空间群: Pc (#7)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5D16_2_spg7
NaV2(As2O7)2 AsO2
2025-03-13 06:13:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008908810).
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 agm008908810
data_agm008908810
_cell_length_a 7.98498
_cell_length_b 9.93732
_cell_length_c 10.91727
_cell_angle_alpha 90.00000
_cell_angle_beta 112.61225
_cell_angle_gamma 90.00000
_cell_volume 799.68525
_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
Na1 Na 0.09230 0.82556 0.76048 1.00000
Na2 Na 0.09230 0.17444 0.26048 1.00000
V1 V 0.62297 0.36693 0.46993 1.00000
V2 V 0.06821 0.13057 0.86206 1.00000
V3 V 0.06821 0.86943 0.36206 1.00000
V4 V 0.62297 0.63307 0.96993 1.00000
As1 As 0.37487 0.63805 0.37069 1.00000
As2 As 0.42202 0.20326 0.13356 1.00000
As3 As 0.71400 0.63226 0.29598 1.00000
As4 As 0.88385 0.09512 0.51881 1.00000
As5 As 0.88385 0.90488 0.01881 1.00000
As6 As 0.37487 0.36195 0.87069 1.00000
As7 As 0.48873 0.95110 0.99843 1.00000
As8 As 0.42202 0.79674 0.63356 1.00000
As9 As 0.48873 0.04890 0.49843 1.00000
As10 As 0.71400 0.36774 0.79598 1.00000
O1 O 0.19221 0.19276 0.06221 1.00000
O2 O 0.48502 0.69188 0.26801 1.00000
O3 O 0.69707 0.44228 0.65058 1.00000
O4 O 0.50149 0.26599 0.28559 1.00000
O5 O 0.83720 0.22283 0.83400 1.00000
O6 O 0.67251 0.00048 0.45608 1.00000
O7 O 0.52353 0.04061 0.14897 1.00000
O8 O 0.49277 0.78653 0.03238 1.00000
O9 O 0.51196 0.28229 0.02651 1.00000
O10 O 0.98706 0.95127 0.91593 1.00000
O11 O 0.76239 0.52131 0.42211 1.00000
O12 O 0.84679 0.26314 0.50361 1.00000
O13 O 0.98545 0.04048 0.67817 1.00000
O14 O 0.69707 0.55772 0.15058 1.00000
O15 O 0.83720 0.77717 0.33400 1.00000
O16 O 0.98706 0.04873 0.41593 1.00000
O17 O 0.16483 0.29652 0.80478 1.00000
O18 O 0.84679 0.73686 0.00361 1.00000
O19 O 0.29889 0.01259 0.87880 1.00000
O20 O 0.98545 0.95952 0.17817 1.00000
O21 O 0.19221 0.80724 0.56221 1.00000
O22 O 0.38286 0.52925 0.89828 1.00000
O23 O 0.16483 0.70348 0.30478 1.00000
O24 O 0.48502 0.30812 0.76801 1.00000
O25 O 0.29889 0.98741 0.37880 1.00000
O26 O 0.50149 0.73401 0.78559 1.00000
O27 O 0.67251 0.99952 0.95608 1.00000
O28 O 0.38286 0.47075 0.39828 1.00000
O29 O 0.52353 0.95939 0.64897 1.00000
O30 O 0.49277 0.21347 0.53238 1.00000
O31 O 0.51196 0.71771 0.52651 1.00000
O32 O 0.76239 0.47869 0.92211 1.00000
