VP2O7
Alexandria ALEXAlex-ID: agm005222379 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1_spg15
VP2O7
2024-10-09 18:57:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222379).
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 agm005222379
data_agm005222379
_cell_length_a 6.29126
_cell_length_b 6.29126
_cell_length_c 13.31863
_cell_angle_alpha 74.15506
_cell_angle_beta 74.15506
_cell_angle_gamma 80.47943
_cell_volume 485.49587
_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 0.58363 0.11718 0.64732 1.00000
V2 V 0.11718 0.58363 0.14732 1.00000
V3 V 0.41637 0.88282 0.35268 1.00000
V4 V 0.88282 0.41637 0.85268 1.00000
P1 P 0.58115 0.66666 0.57095 1.00000
P2 P 0.74391 0.91982 0.86538 1.00000
P3 P 0.25609 0.08018 0.13462 1.00000
P4 P 0.66666 0.58115 0.07095 1.00000
P5 P 0.33334 0.41885 0.92905 1.00000
P6 P 0.08018 0.25609 0.63462 1.00000
P7 P 0.41885 0.33334 0.42905 1.00000
P8 P 0.91982 0.74391 0.36538 1.00000
O1 O 0.61550 0.80715 0.98580 1.00000
O2 O 0.80715 0.61550 0.48580 1.00000
O3 O 0.21761 0.59634 0.99003 1.00000
O4 O 0.13219 0.90153 0.12414 1.00000
O5 O 0.02010 0.56381 0.30309 1.00000
O6 O 0.43619 0.97990 0.19691 1.00000
O7 O 0.78239 0.40366 0.00997 1.00000
O8 O 0.46926 0.56192 0.35519 1.00000
O9 O 0.43808 0.53074 0.14481 1.00000
O10 O 0.19285 0.38450 0.51420 1.00000
O11 O 0.59634 0.21761 0.49003 1.00000
O12 O 0.40366 0.78239 0.50997 1.00000
O13 O 0.73466 0.89968 0.32128 1.00000
O14 O 0.37081 0.18215 0.36592 1.00000
O15 O 0.62919 0.81785 0.63408 1.00000
O16 O 0.89968 0.73466 0.82128 1.00000
O17 O 0.26534 0.10032 0.67872 1.00000
O18 O 0.81785 0.62919 0.13408 1.00000
O19 O 0.90153 0.13219 0.62414 1.00000
O20 O 0.56381 0.02010 0.80309 1.00000
O21 O 0.38450 0.19285 0.01420 1.00000
O22 O 0.86781 0.09847 0.87586 1.00000
O23 O 0.53074 0.43808 0.64481 1.00000
O24 O 0.10032 0.26534 0.17872 1.00000
O25 O 0.97990 0.43619 0.69691 1.00000
O26 O 0.18215 0.37081 0.86592 1.00000
O27 O 0.56192 0.46926 0.85519 1.00000
O28 O 0.09847 0.86781 0.37586 1.00000
