KUSiHO6
Alexandria ALEXAlex-ID: agm005259097 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE6_45_spg4
K2U2O7 SiO2 H2O
2023-05-08 02:55:12.430371
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259097).
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 agm005259097
data_agm005259097
_cell_length_a 7.09695
_cell_length_b 6.63927
_cell_length_c 6.78812
_cell_angle_alpha 76.35551
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 310.81932
_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 0.30954 0.22303 0.44042 1.00000
K2 K 0.80954 0.77697 0.55958 1.00000
U1 U 0.96498 0.14129 0.97209 1.00000
U2 U 0.46498 0.85871 0.02791 1.00000
Si1 Si 0.46602 0.35496 0.92535 1.00000
Si2 Si 0.96602 0.64504 0.07465 1.00000
H1 H 0.42446 0.62292 0.65434 1.00000
H2 H 0.92446 0.37708 0.34566 1.00000
O1 O 0.97664 0.15196 0.69834 1.00000
O2 O 0.47664 0.84804 0.30166 1.00000
O3 O 0.64231 0.19053 0.95886 1.00000
O4 O 0.14231 0.80947 0.04114 1.00000
O5 O 0.29037 0.18832 0.97980 1.00000
O6 O 0.79037 0.81168 0.02020 1.00000
O7 O 0.95831 0.11531 0.25080 1.00000
O8 O 0.45831 0.88469 0.74920 1.00000
O9 O 0.96680 0.48506 0.92682 1.00000
O10 O 0.46680 0.51494 0.07318 1.00000
O11 O 0.46157 0.47652 0.68110 1.00000
O12 O 0.96157 0.52348 0.31890 1.00000
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