K2VCr3(PO4)6
Alexandria ALEXAlex-ID: agm010951159 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
CrPO4 VPO5 Cr(PO3)3 KCrP2O7 KO12
2025-02-27 21:24:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010951159).
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 agm010951159
data_agm010951159
_cell_length_a 9.13611
_cell_length_b 9.13611
_cell_length_c 9.13611
_cell_angle_alpha 54.97150
_cell_angle_beta 54.97150
_cell_angle_gamma 54.97150
_cell_volume 476.12824
_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
K1 K 0.99854 0.99854 0.99854 1.00000
K2 K 0.49920 0.49920 0.49920 1.00000
V1 V 0.84967 0.84967 0.84967 1.00000
Cr1 Cr 0.64851 0.64851 0.64851 1.00000
Cr2 Cr 0.34794 0.34794 0.34794 1.00000
Cr3 Cr 0.14755 0.14755 0.14755 1.00000
P1 P 0.24657 0.96866 0.53033 1.00000
P2 P 0.03019 0.46511 0.74768 1.00000
P3 P 0.46511 0.74768 0.03019 1.00000
P4 P 0.53033 0.24657 0.96866 1.00000
P5 P 0.96866 0.53033 0.24657 1.00000
P6 P 0.74768 0.03019 0.46511 1.00000
O1 O 0.23650 0.98438 0.35938 1.00000
O2 O 0.06893 0.91835 0.71070 1.00000
O3 O 0.28317 0.91596 0.08191 1.00000
O4 O 0.15242 0.51920 0.22807 1.00000
O5 O 0.43040 0.79854 0.55885 1.00000
O6 O 0.19453 0.45790 0.55467 1.00000
O7 O 0.48225 0.75647 0.84834 1.00000
O8 O 0.76929 0.99984 0.64024 1.00000
O9 O 0.64024 0.76929 0.99984 1.00000
O10 O 0.08191 0.28317 0.91596 1.00000
O11 O 0.75647 0.84834 0.48225 1.00000
O12 O 0.45790 0.55467 0.19453 1.00000
O13 O 0.55885 0.43040 0.79854 1.00000
O14 O 0.22807 0.15242 0.51920 1.00000
O15 O 0.91835 0.71070 0.06893 1.00000
O16 O 0.35938 0.23650 0.98438 1.00000
O17 O 0.51920 0.22807 0.15242 1.00000
O18 O 0.79854 0.55885 0.43040 1.00000
O19 O 0.55467 0.19453 0.45790 1.00000
O20 O 0.84834 0.48225 0.75647 1.00000
O21 O 0.99984 0.64024 0.76929 1.00000
O22 O 0.98438 0.35938 0.23650 1.00000
O23 O 0.71070 0.06893 0.91835 1.00000
O24 O 0.91596 0.08191 0.28317 1.00000
