SrV2(PO4)3
Alexandria ALEXAlex-ID: agm010940313 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_0_spg15
SrV(PO4)2 VPO4
2024-12-05 15:32:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010940313).
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 agm010940313
data_agm010940313
_cell_length_a 9.03450
_cell_length_b 9.03450
_cell_length_c 9.03450
_cell_angle_alpha 56.92416
_cell_angle_beta 56.92416
_cell_angle_gamma 56.92416
_cell_volume 484.43705
_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
Sr1 Sr 0.00001 0.00001 0.00001 1.00000
Sr2 Sr 0.50001 0.50001 0.50001 1.00000
V1 V 0.14828 0.14828 0.14828 1.00000
V2 V 0.64828 0.64828 0.64828 1.00000
V3 V 0.35175 0.35175 0.35175 1.00000
V4 V 0.85175 0.85175 0.85175 1.00000
P1 P 0.46349 0.03650 0.75003 1.00000
P2 P 0.75003 0.46349 0.03650 1.00000
P3 P 0.03650 0.75003 0.46349 1.00000
P4 P 0.96349 0.25003 0.53650 1.00000
P5 P 0.25003 0.53650 0.96349 1.00000
P6 P 0.53650 0.96349 0.25003 1.00000
O1 O 0.51220 0.13197 0.27506 1.00000
O2 O 0.13197 0.27506 0.51220 1.00000
O3 O 0.28163 0.06362 0.92464 1.00000
O4 O 0.27506 0.51220 0.13197 1.00000
O5 O 0.63197 0.01220 0.77506 1.00000
O6 O 0.43627 0.21842 0.57550 1.00000
O7 O 0.92464 0.28163 0.06362 1.00000
O8 O 0.57550 0.43627 0.21842 1.00000
O9 O 0.98773 0.22497 0.36806 1.00000
O10 O 0.21842 0.57550 0.43627 1.00000
O11 O 0.93627 0.07550 0.71842 1.00000
O12 O 0.22497 0.36806 0.98773 1.00000
O13 O 0.77506 0.63197 0.01220 1.00000
O14 O 0.06362 0.92464 0.28163 1.00000
O15 O 0.78163 0.42464 0.56362 1.00000
O16 O 0.01220 0.77506 0.63197 1.00000
O17 O 0.42464 0.56362 0.78163 1.00000
O18 O 0.07550 0.71842 0.93627 1.00000
O19 O 0.56362 0.78163 0.42464 1.00000
O20 O 0.36806 0.98773 0.22497 1.00000
O21 O 0.72497 0.48773 0.86806 1.00000
O22 O 0.71842 0.93627 0.07550 1.00000
O23 O 0.86806 0.72497 0.48773 1.00000
O24 O 0.48773 0.86806 0.72497 1.00000
