CsKU2O7
Alexandria ALEXAlex-ID: agm077703530 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_32_spg38
K2U2O7 Cs2U2O7
2025-01-09 23:19:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077703530).
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 agm077703530
data_agm077703530
_cell_length_a 4.28911
_cell_length_b 4.29060
_cell_length_c 11.46114
_cell_angle_alpha 90.00000
_cell_angle_beta 97.66488
_cell_angle_gamma 90.00000
_cell_volume 209.03309
_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
Cs1 Cs 0.14682 0.50000 0.46564 1.00000
K1 K 0.98482 0.50000 0.00101 1.00000
U1 U 0.41784 0.00000 0.81312 1.00000
U2 U 0.55279 0.00000 0.19087 1.00000
O1 O 0.35414 0.00000 0.64639 1.00000
O2 O 0.61321 0.00000 0.35900 1.00000
O3 O 0.42138 0.50000 0.82596 1.00000
O4 O 0.54985 0.50000 0.18286 1.00000
O5 O 0.92291 0.00000 0.82784 1.00000
O6 O 0.04988 0.00000 0.18278 1.00000
O7 O 0.48636 0.00000 0.00453 1.00000
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