UTl(BO4)2
Alexandria ALEXAlex-ID: agm004884564 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_329_spg12
TlBO3 TlO4 UO3 B2O3
2022-08-10 07:22:47.179576
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004884564).
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 agm004884564
data_agm004884564
_cell_length_a 4.82893
_cell_length_b 4.82893
_cell_length_c 7.11157
_cell_angle_alpha 93.44066
_cell_angle_beta 93.44066
_cell_angle_gamma 66.23267
_cell_volume 151.37741
_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 0.00000 0.00000 0.50000 1.00000
B1 B 0.65785 0.65785 0.24535 1.00000
B2 B 0.34215 0.34215 0.75465 1.00000
O1 O 0.67533 0.21327 0.77615 1.00000
O2 O 0.77292 0.77292 0.08978 1.00000
O3 O 0.73984 0.73984 0.43618 1.00000
O4 O 0.26016 0.26016 0.56382 1.00000
O5 O 0.22708 0.22708 0.91022 1.00000
O6 O 0.21327 0.67533 0.77615 1.00000
O7 O 0.78673 0.32467 0.22385 1.00000
O8 O 0.32467 0.78673 0.22385 1.00000
Get direct link