LiV2Zn2(SiO5)2
Alexandria ALEXAlex-ID: agm005241303 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2E10_30_spg2
Zn2SiO4 LiV3Zn2O8 Li2ZnSiO4 V3O5 SiO2
2023-05-07 11:24:22.229575
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005241303).
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 agm005241303
data_agm005241303
_cell_length_a 5.32160
_cell_length_b 5.46763
_cell_length_c 7.25895
_cell_angle_alpha 106.56905
_cell_angle_beta 106.28176
_cell_angle_gamma 97.24171
_cell_volume 189.38733
_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
Li1 Li 0.00000 0.00000 0.50000 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.50000 0.00000 0.00000 1.00000
Zn1 Zn 0.26079 0.39728 0.82152 1.00000
Zn2 Zn 0.73921 0.60272 0.17848 1.00000
Si1 Si 0.82952 0.62517 0.74693 1.00000
Si2 Si 0.17048 0.37483 0.25307 1.00000
O1 O 0.63673 0.65888 0.89295 1.00000
O2 O 0.74402 0.77451 0.58256 1.00000
O3 O 0.36327 0.34112 0.10705 1.00000
O4 O 0.25598 0.22549 0.41744 1.00000
O5 O 0.17003 0.68917 0.35380 1.00000
O6 O 0.85374 0.25914 0.10495 1.00000
O7 O 0.82997 0.31083 0.64620 1.00000
O8 O 0.14626 0.74086 0.89505 1.00000
O9 O 0.60823 0.92748 0.26777 1.00000
O10 O 0.39177 0.07252 0.73223 1.00000
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