K2V3Cr(PO4)6
Alexandria ALEXAlex-ID: agm010945971 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_15_spg146
KV2(PO4)3 VPO5 KCrP2O7
2024-12-09 04:49:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010945971).
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 agm010945971
data_agm010945971
_cell_length_a 8.40359
_cell_length_b 8.42745
_cell_length_c 9.11737
_cell_angle_alpha 90.17054
_cell_angle_beta 117.42893
_cell_angle_gamma 119.88944
_cell_volume 473.65406
_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 0.00221 0.99499 0.00049 1.00000
K2 K 0.99219 0.49325 0.49985 1.00000
V1 V 0.70275 0.35238 0.05448 1.00000
V2 V 0.29807 0.64894 0.94526 1.00000
V3 V 0.70204 0.85250 0.54960 1.00000
Cr1 Cr 0.30037 0.15031 0.45051 1.00000
P1 P 0.78529 0.03411 0.25286 1.00000
P2 P 0.49771 0.53024 0.74940 1.00000
P3 P 0.78127 0.25213 0.74827 1.00000
P4 P 0.21936 0.75101 0.25203 1.00000
P5 P 0.50067 0.46847 0.25065 1.00000
P6 P 0.21843 0.96613 0.74691 1.00000
O1 O 0.75656 0.02159 0.40914 1.00000
O2 O 0.97922 0.03270 0.28625 1.00000
O3 O 0.75721 0.06080 0.71015 1.00000
O4 O 0.35907 0.49896 0.08216 1.00000
O5 O 0.79930 0.21528 0.21103 1.00000
O6 O 0.37135 0.58891 0.79591 1.00000
O7 O 0.77235 0.26983 0.91427 1.00000
O8 O 0.25191 0.97542 0.59572 1.00000
O9 O 0.61972 0.27397 0.59577 1.00000
O10 O 0.64043 0.69635 0.70395 1.00000
O11 O 0.39587 0.13825 0.91169 1.00000
O12 O 0.01137 0.42185 0.79687 1.00000
O13 O 0.00345 0.58066 0.21935 1.00000
O14 O 0.58200 0.85986 0.08561 1.00000
O15 O 0.34323 0.30726 0.28628 1.00000
O16 O 0.40128 0.74338 0.40648 1.00000
O17 O 0.22073 0.72138 0.08322 1.00000
O18 O 0.62702 0.41245 0.20611 1.00000
O19 O 0.20318 0.78291 0.79495 1.00000
O20 O 0.65417 0.51789 0.91891 1.00000
O21 O 0.32259 0.34422 0.59912 1.00000
O22 O 0.67230 0.65489 0.40232 1.00000
O23 O 0.25445 0.94518 0.28891 1.00000
O24 O 0.00087 0.94155 0.69550 1.00000
