K3PrV4O12
Alexandria ALEXAlex-ID: agm010746052 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_359_spg38
K3V3O8 PrVO4
2024-05-04 17:14:42.277653
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010746052).
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 agm010746052
data_agm010746052
_cell_length_a 6.60443
_cell_length_b 6.60443
_cell_length_c 7.05009
_cell_angle_alpha 89.59199
_cell_angle_beta 89.59199
_cell_angle_gamma 96.01972
_cell_volume 305.80099
_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 0.91828 0.08172 0.50000 1.00000
K2 K 0.53376 0.46624 0.50000 1.00000
K3 K 0.50562 0.49438 0.00000 1.00000
Pr1 Pr 0.89911 0.10089 0.00000 1.00000
V1 V 0.44014 0.02180 0.23953 1.00000
V2 V 0.97820 0.55986 0.76047 1.00000
V3 V 0.06016 0.62230 0.25053 1.00000
V4 V 0.37770 0.93984 0.74947 1.00000
O1 O 0.89712 0.80343 0.22219 1.00000
O2 O 0.85091 0.76956 0.78344 1.00000
O3 O 0.23044 0.14909 0.21656 1.00000
O4 O 0.19657 0.10288 0.77781 1.00000
O5 O 0.49150 0.99719 0.52751 1.00000
O6 O 0.03313 0.47272 0.03938 1.00000
O7 O 0.52728 0.96687 0.96062 1.00000
O8 O 0.00281 0.50850 0.47249 1.00000
O9 O 0.67308 0.19906 0.23195 1.00000
O10 O 0.31583 0.72915 0.25409 1.00000
O11 O 0.80094 0.32692 0.76805 1.00000
O12 O 0.27085 0.68417 0.74591 1.00000
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