K8PaO6
Alexandria ALEXAlex-ID: agm072880904 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
K8PaO6
2024-10-07 00:41:01.436908
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072880904).
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 agm072880904
data_agm072880904
_cell_length_a 6.70784
_cell_length_b 6.71137
_cell_length_c 10.77139
_cell_angle_alpha 87.77964
_cell_angle_beta 101.31142
_cell_angle_gamma 120.02027
_cell_volume 410.69908
_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 0.66655 0.33315 1.00000 1.00000
K2 K 0.33345 0.66685 0.00000 1.00000
K3 K 0.25821 0.96700 0.74398 1.00000
K4 K 0.54721 0.61140 0.74452 1.00000
K5 K 0.90304 0.32316 0.74449 1.00000
K6 K 0.74179 0.03300 0.25602 1.00000
K7 K 0.45279 0.38860 0.25548 1.00000
K8 K 0.09696 0.67684 0.25551 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
O1 O 0.95215 0.71470 0.87368 1.00000
O2 O 0.68271 0.98364 0.87349 1.00000
O3 O 0.22131 0.25289 0.87325 1.00000
O4 O 0.04785 0.28530 0.12632 1.00000
O5 O 0.31729 0.01636 0.12651 1.00000
O6 O 0.77869 0.74711 0.12675 1.00000
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