U5ClO12
Alexandria ALEXAlex-ID: agm005233669 · Space group: Pmma (#51)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_1_spg51
U5ClO12
2024-10-14 11:17:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233669).
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 agm005233669
data_agm005233669
_cell_length_a 4.16163
_cell_length_b 7.14934
_cell_length_c 19.75783
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 587.85396
_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
U1 U 0.00000 0.20807 0.85422 1.00000
U2 U 0.00000 0.79193 0.14578 1.00000
U3 U 0.00000 0.20807 0.64578 1.00000
U4 U 0.00000 0.79193 0.35422 1.00000
U5 U 0.00000 0.33475 0.42994 1.00000
U6 U 0.00000 0.66525 0.57006 1.00000
U7 U 0.00000 0.33475 0.07006 1.00000
U8 U 0.00000 0.66525 0.92994 1.00000
U9 U 0.00000 0.24937 0.25000 1.00000
U10 U 0.00000 0.75063 0.75000 1.00000
Cl1 Cl 0.00000 0.00000 0.50000 1.00000
Cl2 Cl 0.00000 0.00000 0.00000 1.00000
O1 O 0.00000 0.62761 0.04804 1.00000
O2 O 0.00000 0.37239 0.95196 1.00000
O3 O 0.00000 0.62761 0.45196 1.00000
O4 O 0.00000 0.37239 0.54804 1.00000
O5 O 0.00000 0.10998 0.14644 1.00000
O6 O 0.00000 0.89002 0.85356 1.00000
O7 O 0.00000 0.10998 0.35356 1.00000
O8 O 0.00000 0.89002 0.64644 1.00000
O9 O 0.50000 0.20823 0.85607 1.00000
O10 O 0.50000 0.79177 0.14393 1.00000
O11 O 0.50000 0.20823 0.64393 1.00000
O12 O 0.50000 0.79177 0.35607 1.00000
O13 O 0.50000 0.24645 0.25000 1.00000
O14 O 0.50000 0.75355 0.75000 1.00000
O15 O 0.00000 0.87031 0.25000 1.00000
O16 O 0.00000 0.12969 0.75000 1.00000
O17 O 0.50000 0.32997 0.43084 1.00000
O18 O 0.50000 0.67003 0.56916 1.00000
O19 O 0.50000 0.32997 0.06916 1.00000
O20 O 0.50000 0.67003 0.93084 1.00000
O21 O 0.00000 0.48052 0.17132 1.00000
O22 O 0.00000 0.51948 0.82868 1.00000
O23 O 0.00000 0.48052 0.32868 1.00000
O24 O 0.00000 0.51948 0.67132 1.00000
