Rb2UTe3
Alexandria ALEXAlex-ID: agm033182784 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2988_spg70
Rb2UTe3
2025-02-03 01:40:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033182784).
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 agm033182784
data_agm033182784
_cell_length_a 15.73515
_cell_length_b 15.01855
_cell_length_c 8.56548
_cell_angle_alpha 78.49191
_cell_angle_beta 69.27193
_cell_angle_gamma 32.23615
_cell_volume 989.39070
_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
Rb1 Rb 0.99362 0.99362 0.50638 1.00000
Rb2 Rb 0.42383 0.42383 0.57617 1.00000
Rb3 Rb 0.82617 0.82617 0.67383 1.00000
Rb4 Rb 0.25638 0.25638 0.74362 1.00000
Rb5 Rb 0.74362 0.74362 0.25638 1.00000
Rb6 Rb 0.67383 0.67383 0.82617 1.00000
Rb7 Rb 0.57617 0.57617 0.42383 1.00000
Rb8 Rb 0.50638 0.50638 0.99362 1.00000
U1 U 0.91540 0.91540 0.08460 1.00000
U2 U 0.33460 0.33460 0.16540 1.00000
U3 U 0.16540 0.16540 0.33460 1.00000
U4 U 0.08460 0.08460 0.91540 1.00000
Te1 Te 0.65903 0.15453 0.88944 1.00000
Te2 Te 0.15453 0.65903 0.29700 1.00000
Te3 Te 0.59097 0.09547 0.36056 1.00000
Te4 Te 0.09547 0.59097 0.95300 1.00000
Te5 Te 0.44484 0.05516 0.05516 1.00000
Te6 Te 0.05516 0.44484 0.44484 1.00000
Te7 Te 0.95300 0.36056 0.09547 1.00000
Te8 Te 0.36056 0.95300 0.59097 1.00000
Te9 Te 0.29700 0.88944 0.15453 1.00000
Te10 Te 0.88944 0.29700 0.65903 1.00000
Te11 Te 0.80516 0.19484 0.19484 1.00000
Te12 Te 0.19484 0.80516 0.80516 1.00000
