V(PO3)2
Alexandria ALEXAlex-ID: agm005288907 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3604_spg15
VPO4 VP2 V(PO3)3
2023-05-07 20:11:32.078949
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288907).
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 agm005288907
data_agm005288907
_cell_length_a 6.31326
_cell_length_b 6.31326
_cell_length_c 7.96189
_cell_angle_alpha 82.55289
_cell_angle_beta 82.55289
_cell_angle_gamma 97.09407
_cell_volume 308.81509
_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 0.20030 0.79970 0.25000 1.00000
V2 V 0.79970 0.20030 0.75000 1.00000
P1 P 0.18447 0.62862 0.68109 1.00000
P2 P 0.37138 0.81553 0.81891 1.00000
P3 P 0.81553 0.37138 0.31891 1.00000
P4 P 0.62862 0.18447 0.18109 1.00000
O1 O 0.21121 0.66567 0.48868 1.00000
O2 O 0.33433 0.78879 0.01132 1.00000
O3 O 0.78879 0.33433 0.51132 1.00000
O4 O 0.66567 0.21121 0.98868 1.00000
O5 O 0.00671 0.52750 0.22477 1.00000
O6 O 0.47250 0.99329 0.27523 1.00000
O7 O 0.99329 0.47250 0.77523 1.00000
O8 O 0.52750 0.00671 0.72477 1.00000
O9 O 0.02968 0.97032 0.25000 1.00000
O10 O 0.97032 0.02968 0.75000 1.00000
O11 O 0.58207 0.41793 0.25000 1.00000
O12 O 0.41793 0.58207 0.75000 1.00000
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