Na2V3In(PO4)6
Alexandria ALEXAlex-ID: agm010958893 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
NaV2(PO4)3 VPO5 NaInP2O7
2025-01-21 12:51:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010958893).
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 agm010958893
data_agm010958893
_cell_length_a 8.59404
_cell_length_b 8.59500
_cell_length_c 8.86378
_cell_angle_alpha 61.02255
_cell_angle_beta 61.03008
_cell_angle_gamma 59.99965
_cell_volume 470.01505
_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 0.99846 0.99820 0.00510 1.00000
Na2 Na 0.49970 0.50002 0.50034 1.00000
V1 V 0.85468 0.85470 0.43615 1.00000
V2 V 0.64540 0.64555 0.06349 1.00000
V3 V 0.35491 0.35494 0.93552 1.00000
In1 In 0.14404 0.14394 0.56782 1.00000
P1 P 0.54235 0.25313 0.24752 1.00000
P2 P 0.25301 0.95711 0.24767 1.00000
P3 P 0.95708 0.54223 0.24752 1.00000
P4 P 0.03756 0.46908 0.75203 1.00000
P5 P 0.74138 0.03771 0.75175 1.00000
P6 P 0.46916 0.74133 0.75178 1.00000
O1 O 0.52582 0.67155 0.92247 1.00000
O2 O 0.87984 0.52548 0.92268 1.00000
O3 O 0.71524 0.06723 0.26487 1.00000
O4 O 0.67192 0.87978 0.92190 1.00000
O5 O 0.36942 0.25312 0.41738 1.00000
O6 O 0.60478 0.41133 0.21926 1.00000
O7 O 0.06712 0.95252 0.26518 1.00000
O8 O 0.41129 0.76493 0.21878 1.00000
O9 O 0.01179 0.63706 0.57642 1.00000
O10 O 0.76467 0.60531 0.21887 1.00000
O11 O 0.02536 0.29399 0.76040 1.00000
O12 O 0.77549 0.01196 0.57572 1.00000
O13 O 0.25324 0.95922 0.41797 1.00000
O14 O 0.95240 0.71478 0.26587 1.00000
O15 O 0.22880 0.42983 0.76200 1.00000
O16 O 0.95986 0.36903 0.41723 1.00000
O17 O 0.57949 0.22888 0.76140 1.00000
O18 O 0.92013 0.02525 0.76074 1.00000
O19 O 0.43056 0.57941 0.76103 1.00000
O20 O 0.63694 0.77560 0.57621 1.00000
O21 O 0.29483 0.12545 0.07589 1.00000
O22 O 0.29388 0.92008 0.76068 1.00000
O23 O 0.12518 0.50489 0.07515 1.00000
O24 O 0.50421 0.29539 0.07518 1.00000
