KP2WO7
Alexandria ALEXAlex-ID: agm021684076 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_3_spg14
PW KP3(WO6)2 KPO3
2025-01-03 07:01:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021684076).
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 agm021684076
data_agm021684076
_cell_length_a 7.56679
_cell_length_b 10.67395
_cell_length_c 8.57025
_cell_angle_alpha 90.00000
_cell_angle_beta 107.37919
_cell_angle_gamma 90.00000
_cell_volume 660.59841
_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 0.17544 0.32464 0.56621 1.00000
K2 K 0.82456 0.82464 0.93379 1.00000
K3 K 0.82456 0.67536 0.43379 1.00000
K4 K 0.17544 0.17536 0.06621 1.00000
P1 P 0.44155 0.86244 0.19463 1.00000
P2 P 0.55845 0.36244 0.30537 1.00000
P3 P 0.55845 0.13756 0.80537 1.00000
P4 P 0.44155 0.63756 0.69463 1.00000
P5 P 0.12852 0.60104 0.82192 1.00000
P6 P 0.87148 0.10104 0.67808 1.00000
P7 P 0.87148 0.39896 0.17808 1.00000
P8 P 0.12852 0.89896 0.32192 1.00000
W1 W 0.23488 0.89868 0.75777 1.00000
W2 W 0.76512 0.39868 0.74223 1.00000
W3 W 0.76512 0.10132 0.24223 1.00000
W4 W 0.23488 0.60132 0.25777 1.00000
O1 O 0.33672 0.92904 0.31490 1.00000
O2 O 0.66328 0.42904 0.18510 1.00000
O3 O 0.66328 0.07096 0.68510 1.00000
O4 O 0.33672 0.57096 0.81490 1.00000
O5 O 0.99556 0.99982 0.78352 1.00000
O6 O 0.00444 0.49982 0.71648 1.00000
O7 O 0.00444 0.00018 0.21648 1.00000
O8 O 0.99556 0.50018 0.28352 1.00000
O9 O 0.45964 0.77774 0.73874 1.00000
O10 O 0.54036 0.27774 0.76126 1.00000
O11 O 0.54036 0.22226 0.26126 1.00000
O12 O 0.45964 0.72226 0.23874 1.00000
O13 O 0.13240 0.90223 0.49831 1.00000
O14 O 0.86760 0.40223 0.00169 1.00000
O15 O 0.86760 0.09777 0.50169 1.00000
O16 O 0.13240 0.59777 0.99831 1.00000
O17 O 0.07065 0.76967 0.24267 1.00000
O18 O 0.92935 0.26967 0.25733 1.00000
O19 O 0.92935 0.23033 0.75733 1.00000
O20 O 0.07065 0.73033 0.74267 1.00000
O21 O 0.32214 0.60648 0.52209 1.00000
O22 O 0.67786 0.10648 0.97791 1.00000
O23 O 0.67786 0.39352 0.47791 1.00000
O24 O 0.32214 0.89352 0.02209 1.00000
O25 O 0.36505 0.41998 0.25843 1.00000
O26 O 0.63495 0.91998 0.24157 1.00000
O27 O 0.63495 0.58002 0.74157 1.00000
O28 O 0.36505 0.08002 0.75843 1.00000
