VP2O7
Alexandria ALEXAlex-ID: agm005267157 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_3_spg14
VP2O7
2024-10-09 18:27:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267157).
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 agm005267157
data_agm005267157
_cell_length_a 8.13249
_cell_length_b 7.24713
_cell_length_c 9.45920
_cell_angle_alpha 70.07406
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 524.12339
_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 0.99117 0.77523 0.75492 1.00000
V2 V 0.50883 0.77523 0.25492 1.00000
V3 V 0.49117 0.22477 0.74508 1.00000
V4 V 0.00883 0.22477 0.24508 1.00000
P1 P 0.29819 0.82606 0.94908 1.00000
P2 P 0.20181 0.82606 0.44908 1.00000
P3 P 0.23890 0.42940 0.94164 1.00000
P4 P 0.73890 0.57060 0.55836 1.00000
P5 P 0.26110 0.42940 0.44164 1.00000
P6 P 0.76110 0.57060 0.05836 1.00000
P7 P 0.79819 0.17394 0.55092 1.00000
P8 P 0.70181 0.17394 0.05092 1.00000
O1 O 0.41532 0.96484 0.83249 1.00000
O2 O 0.11829 0.85869 0.89951 1.00000
O3 O 0.08468 0.96484 0.33249 1.00000
O4 O 0.81249 0.69222 0.89892 1.00000
O5 O 0.17578 0.83531 0.60581 1.00000
O6 O 0.34860 0.61099 0.95040 1.00000
O7 O 0.38171 0.85869 0.39951 1.00000
O8 O 0.85489 0.68698 0.62017 1.00000
O9 O 0.08994 0.51704 0.84049 1.00000
O10 O 0.68751 0.69222 0.39892 1.00000
O11 O 0.32422 0.83531 0.10581 1.00000
O12 O 0.15140 0.61099 0.45040 1.00000
O13 O 0.58994 0.48296 0.65951 1.00000
O14 O 0.64511 0.68698 0.12017 1.00000
O15 O 0.35489 0.31302 0.87983 1.00000
O16 O 0.41006 0.51704 0.34049 1.00000
O17 O 0.84860 0.38901 0.54960 1.00000
O18 O 0.67578 0.16469 0.89419 1.00000
O19 O 0.31249 0.30778 0.60108 1.00000
O20 O 0.91006 0.48296 0.15951 1.00000
O21 O 0.14511 0.31302 0.37983 1.00000
O22 O 0.61829 0.14131 0.60049 1.00000
O23 O 0.65140 0.38901 0.04960 1.00000
O24 O 0.82422 0.16469 0.39419 1.00000
O25 O 0.18751 0.30778 0.10108 1.00000
O26 O 0.91532 0.03516 0.66751 1.00000
O27 O 0.88171 0.14131 0.10049 1.00000
O28 O 0.58468 0.03516 0.16751 1.00000
