UTl2CdO8
Alexandria ALEXAlex-ID: agm004887091 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_355_spg12
TlO4 UCdO4 Tl2O3
2023-01-01 22:23:28.534255
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004887091).
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 agm004887091
data_agm004887091
_cell_length_a 5.19393
_cell_length_b 5.18035
_cell_length_c 6.86181
_cell_angle_alpha 87.69900
_cell_angle_beta 92.27989
_cell_angle_gamma 92.08704
_cell_volume 184.21940
_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 0.00000 0.00000 1.00000
Tl1 Tl 0.48722 0.51273 0.74699 1.00000
Tl2 Tl 0.51278 0.48727 0.25301 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
O1 O 0.18766 0.80937 0.20640 1.00000
O2 O 0.69632 0.69916 0.99989 1.00000
O3 O 0.82609 0.17647 0.23416 1.00000
O4 O 0.81234 0.19063 0.79360 1.00000
O5 O 0.30368 0.30084 0.00011 1.00000
O6 O 0.17391 0.82353 0.76584 1.00000
O7 O 0.69192 0.69533 0.49980 1.00000
O8 O 0.30808 0.30467 0.50020 1.00000
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