K3Pm3AuO8
Alexandria ALEXAlex-ID: agm004683036 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_44_spg12
K2O3 KPmO2 KAuO2 Pm2O3
2022-07-03 01:29:26.355042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004683036).
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 agm004683036
data_agm004683036
_cell_length_a 7.10836
_cell_length_b 7.04526
_cell_length_c 7.51980
_cell_angle_alpha 118.10091
_cell_angle_beta 90.00000
_cell_angle_gamma 120.29673
_cell_volume 272.51304
_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 0.00000 0.00000 0.00000 1.00000
K2 K 0.00000 0.50000 0.00000 1.00000
K3 K 0.50000 0.50000 0.00000 1.00000
Pm1 Pm 0.50000 0.00000 0.50000 1.00000
Pm2 Pm 0.50000 0.50000 0.50000 1.00000
Pm3 Pm 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
O1 O 0.26947 0.53895 0.31392 1.00000
O2 O 0.73053 0.46105 0.68608 1.00000
O3 O 0.79486 0.58972 0.32796 1.00000
O4 O 0.20514 0.41028 0.67204 1.00000
O5 O 0.77545 0.03499 0.31218 1.00000
O6 O 0.22455 0.96501 0.68782 1.00000
O7 O 0.25954 0.03499 0.31218 1.00000
O8 O 0.74046 0.96501 0.68782 1.00000
Get direct link