V(PO4)2
Alexandria ALEXAlex-ID: agm005235539 · 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
AB2C8_4052_spg14
VP2O7 VPO7 P2O5
2024-10-09 16:08:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235539).
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 agm005235539
data_agm005235539
_cell_length_a 7.75107
_cell_length_b 8.31128
_cell_length_c 9.89839
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.65290
_cell_volume 610.92223
_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 0.75107 0.74880 0.09578 1.00000
V2 V 0.24893 0.75120 0.59578 1.00000
V3 V 0.24893 0.25120 0.90422 1.00000
V4 V 0.75107 0.24880 0.40422 1.00000
P1 P 0.59279 0.31706 0.11396 1.00000
P2 P 0.40721 0.18294 0.61396 1.00000
P3 P 0.40721 0.68294 0.88604 1.00000
P4 P 0.59279 0.81706 0.38604 1.00000
P5 P 0.90049 0.67945 0.38873 1.00000
P6 P 0.09951 0.82055 0.88873 1.00000
P7 P 0.09951 0.32055 0.61127 1.00000
P8 P 0.90049 0.17945 0.11127 1.00000
O1 O 0.74234 0.74261 0.45612 1.00000
O2 O 0.25766 0.75739 0.95612 1.00000
O3 O 0.25766 0.25739 0.54388 1.00000
O4 O 0.74234 0.24261 0.04388 1.00000
O5 O 0.91075 0.23050 0.26196 1.00000
O6 O 0.08925 0.26950 0.76196 1.00000
O7 O 0.08925 0.76950 0.73804 1.00000
O8 O 0.91075 0.73050 0.23804 1.00000
O9 O 0.41770 0.23144 0.03829 1.00000
O10 O 0.58230 0.26856 0.53829 1.00000
O11 O 0.58230 0.76856 0.96171 1.00000
O12 O 0.41770 0.73144 0.46171 1.00000
O13 O 0.85131 0.99113 0.09287 1.00000
O14 O 0.14869 0.50887 0.59287 1.00000
O15 O 0.14869 0.00887 0.90713 1.00000
O16 O 0.85131 0.49113 0.40713 1.00000
O17 O 0.65165 0.50476 0.09274 1.00000
O18 O 0.34835 0.99524 0.59274 1.00000
O19 O 0.34835 0.49524 0.90726 1.00000
O20 O 0.65165 0.00476 0.40726 1.00000
O21 O 0.07367 0.27560 0.04074 1.00000
O22 O 0.92633 0.22440 0.54074 1.00000
O23 O 0.92633 0.72440 0.95926 1.00000
O24 O 0.07367 0.77560 0.45926 1.00000
O25 O 0.57635 0.26024 0.26135 1.00000
O26 O 0.42365 0.23976 0.76135 1.00000
O27 O 0.42365 0.73976 0.73865 1.00000
O28 O 0.57635 0.76024 0.23865 1.00000
O29 O 0.75067 0.50131 0.75858 1.00000
O30 O 0.24933 0.99869 0.25858 1.00000
O31 O 0.24933 0.49869 0.24142 1.00000
O32 O 0.75067 0.00131 0.74142 1.00000
