UAs2H6O11
Alexandria ALEXAlex-ID: agm005284844 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D11_17_spg15
UAsH9O10 As3(HO2)5 UO3
2024-10-18 16:05:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284844).
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 agm005284844
data_agm005284844
_cell_length_a 8.08794
_cell_length_b 8.08794
_cell_length_c 9.08989
_cell_angle_alpha 62.97581
_cell_angle_beta 62.97581
_cell_angle_gamma 68.91399
_cell_volume 462.96563
_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 0.65924 0.34076 0.75000 1.00000
U2 U 0.34076 0.65924 0.25000 1.00000
As1 As 0.81186 0.80833 0.44285 1.00000
As2 As 0.80833 0.81186 0.94285 1.00000
As3 As 0.19167 0.18814 0.05715 1.00000
As4 As 0.18814 0.19167 0.55715 1.00000
H1 H 0.34198 0.68050 0.82828 1.00000
H2 H 0.99125 0.79627 0.08892 1.00000
H3 H 0.31950 0.65802 0.67172 1.00000
H4 H 0.63996 0.83696 0.28080 1.00000
H5 H 0.16304 0.36004 0.21920 1.00000
H6 H 0.20373 0.00875 0.41108 1.00000
H7 H 0.79627 0.99125 0.58892 1.00000
H8 H 0.83696 0.63996 0.78080 1.00000
H9 H 0.36004 0.16304 0.71920 1.00000
H10 H 0.68050 0.34198 0.32828 1.00000
H11 H 0.00875 0.20373 0.91108 1.00000
H12 H 0.65802 0.31950 0.17172 1.00000
O1 O 0.25608 0.98645 0.21518 1.00000
O2 O 0.76827 0.63107 0.64460 1.00000
O3 O 0.38210 0.70058 0.02388 1.00000
O4 O 0.01355 0.74392 0.28482 1.00000
O5 O 0.62601 0.89543 0.36506 1.00000
O6 O 0.00344 0.83155 0.96333 1.00000
O7 O 0.39195 0.60805 0.75000 1.00000
O8 O 0.16845 0.99656 0.53667 1.00000
O9 O 0.70058 0.38210 0.52388 1.00000
O10 O 0.10457 0.37399 0.13494 1.00000
O11 O 0.63107 0.76827 0.14460 1.00000
O12 O 0.36893 0.23173 0.85540 1.00000
O13 O 0.89543 0.62601 0.86506 1.00000
O14 O 0.29942 0.61790 0.47612 1.00000
O15 O 0.83155 0.00344 0.46333 1.00000
O16 O 0.60805 0.39195 0.25000 1.00000
O17 O 0.99656 0.16845 0.03667 1.00000
O18 O 0.37399 0.10457 0.63494 1.00000
O19 O 0.98645 0.25608 0.71518 1.00000
O20 O 0.61790 0.29942 0.97612 1.00000
O21 O 0.23173 0.36893 0.35540 1.00000
O22 O 0.74392 0.01355 0.78482 1.00000
