VPO7
Alexandria ALEXAlex-ID: agm005259949 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_64_spg2
VPO7
2023-05-04 04:04:34.468038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259949).
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 agm005259949
data_agm005259949
_cell_length_a 5.93899
_cell_length_b 7.83069
_cell_length_c 12.70861
_cell_angle_alpha 97.05286
_cell_angle_beta 68.74522
_cell_angle_gamma 107.56713
_cell_volume 525.08044
_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 0.42338 0.70459 0.38151 1.00000
V2 V 0.57662 0.29541 0.61849 1.00000
V3 V 0.00711 0.69525 0.87920 1.00000
V4 V 0.99289 0.30475 0.12080 1.00000
P1 P 0.14458 0.49090 0.63140 1.00000
P2 P 0.85542 0.50910 0.36860 1.00000
P3 P 0.74169 0.87086 0.13144 1.00000
P4 P 0.25831 0.12914 0.86856 1.00000
O1 O 0.18061 0.61021 0.73385 1.00000
O2 O 0.81939 0.38979 0.26615 1.00000
O3 O 0.62111 0.72824 0.22225 1.00000
O4 O 0.37889 0.27176 0.77775 1.00000
O5 O 0.93728 0.81891 0.02833 1.00000
O6 O 0.06272 0.18109 0.97167 1.00000
O7 O 0.22464 0.60769 0.52847 1.00000
O8 O 0.77536 0.39231 0.47153 1.00000
O9 O 0.08287 0.53398 0.94761 1.00000
O10 O 0.91713 0.46602 0.05239 1.00000
O11 O 0.75934 0.78330 0.64959 1.00000
O12 O 0.24066 0.21670 0.35041 1.00000
O13 O 0.30283 0.35648 0.60382 1.00000
O14 O 0.69717 0.64352 0.39618 1.00000
O15 O 0.82399 0.05960 0.17806 1.00000
O16 O 0.17601 0.94040 0.82194 1.00000
O17 O 0.93829 0.91726 0.61497 1.00000
O18 O 0.06171 0.08274 0.38503 1.00000
O19 O 0.68093 0.08461 0.83691 1.00000
O20 O 0.31907 0.91539 0.16309 1.00000
O21 O 0.86377 0.38579 0.66125 1.00000
O22 O 0.13623 0.61421 0.33875 1.00000
O23 O 0.51059 0.86932 0.08072 1.00000
O24 O 0.48941 0.13068 0.91928 1.00000
O25 O 0.45325 0.91154 0.41137 1.00000
O26 O 0.54675 0.08846 0.58863 1.00000
O27 O 0.72116 0.62344 0.88444 1.00000
O28 O 0.27884 0.37656 0.11556 1.00000
