U4Tc3Sb8
Alexandria ALEXAlex-ID: agm005708407 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_1_spg115
U4Tc7Sb6 Sb USb2
2023-07-01 11:26:48.794018
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708407).
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 agm005708407
data_agm005708407
_cell_length_a 4.44450
_cell_length_b 4.44450
_cell_length_c 18.11031
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 357.74379
_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 0.50000 0.00000 0.38675 1.00000
U2 U 0.50000 0.00000 0.88875 1.00000
U3 U 0.00000 0.50000 0.11125 1.00000
U4 U 0.00000 0.50000 0.61325 1.00000
Tc1 Tc 0.50000 0.50000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.00000 1.00000
Tc3 Tc 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.50000 0.00000 0.07811 1.00000
Sb2 Sb 0.50000 0.00000 0.58713 1.00000
Sb3 Sb 0.00000 0.50000 0.41287 1.00000
Sb4 Sb 0.00000 0.50000 0.92189 1.00000
Sb5 Sb 0.50000 0.50000 0.24668 1.00000
Sb6 Sb 0.50000 0.50000 0.75332 1.00000
Sb7 Sb 0.00000 0.00000 0.24689 1.00000
Sb8 Sb 0.00000 0.00000 0.75311 1.00000
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