V3Ni2P6WO24
Alexandria ALEXAlex-ID: agm003243151 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
VP6(WO8)3 VPO4 Ni3(PO4)2
2021-12-28 12:20:54.133713
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243151).
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 agm003243151
data_agm003243151
_cell_length_a 8.54993
_cell_length_b 8.68849
_cell_length_c 8.68849
_cell_angle_alpha 60.00000
_cell_angle_beta 59.46244
_cell_angle_gamma 59.46244
_cell_volume 452.64610
_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 0.07588 0.64137 0.64137 1.00000
V2 V 0.42825 0.85725 0.85725 1.00000
V3 V 0.92460 0.35847 0.35847 1.00000
Ni1 Ni 0.01193 0.99602 0.99602 1.00000
Ni2 Ni 0.50183 0.49939 0.49939 1.00000
P1 P 0.24508 0.25264 0.54921 1.00000
P2 P 0.24508 0.95307 0.25264 1.00000
P3 P 0.24508 0.54921 0.95307 1.00000
P4 P 0.74923 0.46046 0.04497 1.00000
P5 P 0.74923 0.04497 0.74535 1.00000
P6 P 0.74923 0.74535 0.46046 1.00000
W1 W 0.57267 0.14244 0.14244 1.00000
O1 O 0.06867 0.10955 0.31989 1.00000
O2 O 0.06867 0.50188 0.10955 1.00000
O3 O 0.06867 0.31989 0.50188 1.00000
O4 O 0.22513 0.09190 0.74309 1.00000
O5 O 0.43254 0.17852 0.38989 1.00000
O6 O 0.28090 0.40701 0.55490 1.00000
O7 O 0.22513 0.93987 0.09190 1.00000
O8 O 0.28090 0.75720 0.40701 1.00000
O9 O 0.56613 0.61082 0.00448 1.00000
O10 O 0.28090 0.55490 0.75720 1.00000
O11 O 0.76873 0.25746 0.06434 1.00000
O12 O 0.56613 0.00448 0.81857 1.00000
O13 O 0.43254 0.99905 0.17852 1.00000
O14 O 0.22513 0.74309 0.93987 1.00000
O15 O 0.72472 0.43896 0.24394 1.00000
O16 O 0.43254 0.38989 0.99905 1.00000
O17 O 0.72472 0.24394 0.59238 1.00000
O18 O 0.76873 0.06434 0.90947 1.00000
O19 O 0.72472 0.59238 0.43896 1.00000
O20 O 0.56613 0.81857 0.61082 1.00000
O21 O 0.76873 0.90947 0.25746 1.00000
O22 O 0.93382 0.68691 0.49062 1.00000
O23 O 0.93382 0.49062 0.88864 1.00000
O24 O 0.93382 0.88864 0.68691 1.00000
