VP2O7
Alexandria ALEXAlex-ID: agm005279853 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_205_spg2
VP2O7
2024-10-09 21:42:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279853).
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}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005279853
data_agm005279853
_cell_length_a 6.34169
_cell_length_b 9.61435
_cell_length_c 10.78694
_cell_angle_alpha 116.70222
_cell_angle_beta 84.73577
_cell_angle_gamma 106.60730
_cell_volume 562.52638
_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 0.63742 0.49015 0.24450 1.00000
V2 V 0.36166 0.50007 0.75061 1.00000
V3 V 0.72533 0.09266 0.22628 1.00000
V4 V 0.27430 0.89769 0.76925 1.00000
P1 P 0.94318 0.81285 0.23020 1.00000
P2 P 0.29099 0.81017 0.02978 1.00000
P3 P 0.88573 0.56029 0.69678 1.00000
P4 P 0.11344 0.43014 0.29848 1.00000
P5 P 0.05629 0.17730 0.76525 1.00000
P6 P 0.41409 0.67767 0.53761 1.00000
P7 P 0.70857 0.17999 0.96564 1.00000
P8 P 0.58516 0.31287 0.45764 1.00000
O1 O 0.19514 0.54199 0.45916 1.00000
O2 O 0.93862 0.25105 0.91375 1.00000
O3 O 0.08532 0.87167 0.35289 1.00000
O4 O 0.42024 0.68090 0.68411 1.00000
O5 O 0.15258 0.05479 0.78286 1.00000
O6 O 0.73619 0.66241 0.20437 1.00000
O7 O 0.75949 0.10466 0.05621 1.00000
O8 O 0.95078 0.49809 0.26371 1.00000
O9 O 0.62650 0.14693 0.41468 1.00000
O10 O 0.60606 0.63727 0.44751 1.00000
O11 O 0.67574 0.54647 0.77881 1.00000
O12 O 0.43389 0.94052 0.15652 1.00000
O13 O 0.32337 0.44375 0.21637 1.00000
O14 O 0.98623 0.73050 0.70877 1.00000
O15 O 0.26292 0.32783 0.79075 1.00000
O16 O 0.80390 0.44888 0.53605 1.00000
O17 O 0.91399 0.11790 0.64250 1.00000
O18 O 0.24022 0.88570 0.93934 1.00000
O19 O 0.37302 0.84375 0.58084 1.00000
O20 O 0.06084 0.73928 0.08169 1.00000
O21 O 0.01313 0.26008 0.28691 1.00000
O22 O 0.38331 0.66690 0.94181 1.00000
O23 O 0.61580 0.32310 0.05339 1.00000
O24 O 0.84753 0.93590 0.21302 1.00000
O25 O 0.04826 0.49196 0.73119 1.00000
O26 O 0.39302 0.35312 0.54762 1.00000
O27 O 0.57890 0.30938 0.31107 1.00000
O28 O 0.56598 0.04937 0.83887 1.00000
