VPO7
Alexandria ALEXAlex-ID: agm005246136 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_56_spg14
VPO7
2023-04-17 03:08:35.567442
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246136).
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 agm005246136
data_agm005246136
_cell_length_a 6.78417
_cell_length_b 8.55968
_cell_length_c 10.95484
_cell_angle_alpha 86.43877
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 634.92231
_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
V1 V 0.61030 0.44592 0.72690 1.00000
V2 V 0.11030 0.55408 0.77310 1.00000
V3 V 0.38970 0.55408 0.27310 1.00000
V4 V 0.88970 0.44592 0.22690 1.00000
P1 P 0.64034 0.65980 0.02437 1.00000
P2 P 0.14034 0.34020 0.47563 1.00000
P3 P 0.35966 0.34020 0.97563 1.00000
P4 P 0.85966 0.65980 0.52437 1.00000
O1 O 0.63484 0.73697 0.90133 1.00000
O2 O 0.13484 0.26303 0.59867 1.00000
O3 O 0.36516 0.26303 0.09867 1.00000
O4 O 0.86516 0.73697 0.40133 1.00000
O5 O 0.82798 0.59573 0.08172 1.00000
O6 O 0.32798 0.40427 0.41828 1.00000
O7 O 0.17202 0.40427 0.91828 1.00000
O8 O 0.67202 0.59573 0.58172 1.00000
O9 O 0.45067 0.62900 0.09549 1.00000
O10 O 0.95067 0.37100 0.40451 1.00000
O11 O 0.54933 0.37100 0.90451 1.00000
O12 O 0.04933 0.62900 0.59549 1.00000
O13 O 0.69018 0.94428 0.11073 1.00000
O14 O 0.19018 0.05572 0.38927 1.00000
O15 O 0.30982 0.05572 0.88927 1.00000
O16 O 0.80982 0.94428 0.61073 1.00000
O17 O 0.60318 0.28261 0.66299 1.00000
O18 O 0.10318 0.71739 0.83701 1.00000
O19 O 0.39682 0.71739 0.33701 1.00000
O20 O 0.89682 0.28261 0.16299 1.00000
O21 O 0.63759 0.47340 0.27679 1.00000
O22 O 0.13759 0.52660 0.22321 1.00000
O23 O 0.36241 0.52660 0.72321 1.00000
O24 O 0.86241 0.47340 0.77679 1.00000
O25 O 0.84338 0.98166 0.71539 1.00000
O26 O 0.34338 0.01834 0.78461 1.00000
O27 O 0.15662 0.01834 0.28461 1.00000
O28 O 0.65662 0.98166 0.21539 1.00000
