Li3MgV8O16
Alexandria ALEXAlex-ID: agm021005202 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8D16_3_spg115
MgVO3 V2O3 Li3VO4
2024-12-11 01:33:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021005202).
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 agm021005202
data_agm021005202
_cell_length_a 6.10269
_cell_length_b 6.04768
_cell_length_c 8.31609
_cell_angle_alpha 90.00000
_cell_angle_beta 89.71994
_cell_angle_gamma 90.00000
_cell_volume 306.91943
_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 0.01227 0.00000 0.00127 1.00000
Li2 Li 0.49563 0.00000 0.24468 1.00000
Li3 Li 0.00005 0.50000 0.75329 1.00000
Mg1 Mg 0.49887 0.50000 0.49775 1.00000
V1 V 0.24983 0.00000 0.62587 1.00000
V2 V 0.74331 0.50000 0.12245 1.00000
V3 V 0.74997 0.00000 0.63237 1.00000
V4 V 0.25336 0.50000 0.12225 1.00000
V5 V 0.50192 0.25192 0.87534 1.00000
V6 V 0.99655 0.75357 0.37278 1.00000
V7 V 0.50192 0.74808 0.87534 1.00000
V8 V 0.99655 0.24643 0.37278 1.00000
O1 O 0.74387 0.00000 0.85411 1.00000
O2 O 0.21806 0.50000 0.37480 1.00000
O3 O 0.28152 0.00000 0.86453 1.00000
O4 O 0.77557 0.50000 0.37156 1.00000
O5 O 0.50638 0.77734 0.62588 1.00000
O6 O 0.99718 0.26731 0.15061 1.00000
O7 O 0.50638 0.22266 0.62588 1.00000
O8 O 0.99718 0.73269 0.15061 1.00000
O9 O 0.27390 0.50000 0.88378 1.00000
O10 O 0.77603 0.00000 0.39041 1.00000
O11 O 0.72622 0.50000 0.88298 1.00000
O12 O 0.21439 0.00000 0.38125 1.00000
O13 O 0.49835 0.72511 0.11739 1.00000
O14 O 0.99330 0.22641 0.60645 1.00000
O15 O 0.49835 0.27489 0.11739 1.00000
O16 O 0.99330 0.77359 0.60645 1.00000
