NaV2(P2O7)2
Alexandria ALEXAlex-ID: agm011020892 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D14_62_spg4
NaV2(P2O7)2
2024-12-19 19:21:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011020892).
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 agm011020892
data_agm011020892
_cell_length_a 7.42801
_cell_length_b 8.18097
_cell_length_c 9.67755
_cell_angle_alpha 90.51596
_cell_angle_beta 111.81871
_cell_angle_gamma 89.93910
_cell_volume 545.93622
_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
Na1 Na 0.97888 0.07665 0.23716 1.00000
Na2 Na 0.02172 0.57787 0.76307 1.00000
V1 V 0.97139 0.50352 0.24380 1.00000
V2 V 0.47577 0.49655 0.74287 1.00000
V3 V 0.52235 0.99628 0.25502 1.00000
V4 V 0.02518 0.00357 0.75656 1.00000
P1 P 0.17891 0.24439 0.06055 1.00000
P2 P 0.56019 0.31377 0.05834 1.00000
P3 P 0.94247 0.80224 0.44711 1.00000
P4 P 0.67458 0.23334 0.56439 1.00000
P5 P 0.32670 0.72902 0.43923 1.00000
P6 P 0.05429 0.30319 0.55133 1.00000
P7 P 0.43923 0.81274 0.93928 1.00000
P8 P 0.82367 0.73684 0.94287 1.00000
O1 O 0.36233 0.36222 0.07999 1.00000
O2 O 0.24945 0.09406 0.16056 1.00000
O3 O 0.46838 0.81633 0.10336 1.00000
O4 O 0.61875 0.14233 0.11636 1.00000
O5 O 0.70534 0.44436 0.14800 1.00000
O6 O 0.91890 0.69026 0.10777 1.00000
O7 O 0.04645 0.34976 0.11414 1.00000
O8 O 0.45619 0.83167 0.38884 1.00000
O9 O 0.57597 0.18423 0.40192 1.00000
O10 O 0.80639 0.92799 0.34675 1.00000
O11 O 0.89911 0.62572 0.38832 1.00000
O12 O 0.02096 0.31666 0.38429 1.00000
O13 O 0.23267 0.57998 0.33775 1.00000
O14 O 0.15014 0.84854 0.43531 1.00000
O15 O 0.85597 0.35608 0.57491 1.00000
O16 O 0.75615 0.08929 0.66793 1.00000
O17 O 0.96472 0.80906 0.61000 1.00000
O18 O 0.10030 0.12949 0.60254 1.00000
O19 O 0.19775 0.43285 0.64672 1.00000
O20 O 0.42775 0.66955 0.60047 1.00000
O21 O 0.54589 0.34406 0.61674 1.00000
O22 O 0.96342 0.83095 0.89343 1.00000
O23 O 0.08198 0.20254 0.89621 1.00000
O24 O 0.30185 0.94010 0.84477 1.00000
O25 O 0.38388 0.63855 0.87152 1.00000
O26 O 0.52376 0.32983 0.89118 1.00000
O27 O 0.74396 0.58306 0.84257 1.00000
O28 O 0.64601 0.85589 0.92620 1.00000
