MgV2O4
Alexandria ALEXAlex-ID: agm005288696 · 空间群: Pbcm (#57)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_489_spg57
MgV2O4
2022-12-13 01:54:35.368650
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288696).
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 agm005288696
data_agm005288696
_cell_length_a 2.96294
_cell_length_b 9.78901
_cell_length_c 9.89069
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 286.87207
_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
Mg1 Mg 0.72207 0.86369 0.25000 1.00000
Mg2 Mg 0.72207 0.63631 0.75000 1.00000
Mg3 Mg 0.27793 0.36369 0.25000 1.00000
Mg4 Mg 0.27793 0.13631 0.75000 1.00000
V1 V 0.23813 0.61802 0.42681 1.00000
V2 V 0.23813 0.88198 0.92681 1.00000
V3 V 0.76187 0.38198 0.92681 1.00000
V4 V 0.23813 0.88198 0.57319 1.00000
V5 V 0.76187 0.38198 0.57319 1.00000
V6 V 0.23813 0.61802 0.07319 1.00000
V7 V 0.76187 0.11802 0.07319 1.00000
V8 V 0.76187 0.11802 0.42681 1.00000
O1 O 0.75781 0.47781 0.11469 1.00000
O2 O 0.24219 0.52219 0.88531 1.00000
O3 O 0.71359 0.75000 0.00000 1.00000
O4 O 0.24219 0.97781 0.11469 1.00000
O5 O 0.24219 0.97781 0.38531 1.00000
O6 O 0.21862 0.78524 0.75000 1.00000
O7 O 0.75781 0.02219 0.88531 1.00000
O8 O 0.78138 0.28524 0.75000 1.00000
O9 O 0.71359 0.75000 0.50000 1.00000
O10 O 0.28641 0.25000 0.00000 1.00000
O11 O 0.75781 0.47781 0.38531 1.00000
O12 O 0.78138 0.21476 0.25000 1.00000
O13 O 0.21862 0.71476 0.25000 1.00000
O14 O 0.28641 0.25000 0.50000 1.00000
O15 O 0.75781 0.02219 0.61469 1.00000
O16 O 0.24219 0.52219 0.61469 1.00000
