KP3O8
Alexandria ALEXAlex-ID: agm002175973 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_4_spg148
K3P5O14 P2O5
2018-06-16 22:27:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002175973).
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 agm002175973
data_agm002175973
_cell_length_a 4.56762
_cell_length_b 4.56768
_cell_length_c 9.02101
_cell_angle_alpha 75.35004
_cell_angle_beta 75.34826
_cell_angle_gamma 59.99997
_cell_volume 155.88746
_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
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.72741 0.72739 0.81761 1.00000
P3 P 0.27259 0.27261 0.18239 1.00000
K1 K 0.50000 0.50000 0.50000 1.00000
O1 O 0.78492 0.78490 0.64482 1.00000
O2 O 0.76163 0.36034 0.88357 1.00000
O3 O 0.21508 0.21510 0.35518 1.00000
O4 O 0.36035 0.99435 0.88357 1.00000
O5 O 0.63965 0.00565 0.11643 1.00000
O6 O 0.99436 0.76162 0.88355 1.00000
O7 O 0.00564 0.23838 0.11645 1.00000
O8 O 0.23837 0.63966 0.11643 1.00000
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