Tc3Sb
Alexandria ALEXAlex-ID: agm006212876 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1483_spg59
Tc3Sb4 Tc
2023-11-20 03:20:52.236848
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006212876).
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 agm006212876
data_agm006212876
_cell_length_a 4.97529
_cell_length_b 5.52834
_cell_length_c 13.98145
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 384.56102
_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
Sb1 Sb 0.04765 0.25000 0.75000 1.00000
Sb2 Sb 0.68796 0.25000 0.42730 1.00000
Sb3 Sb 0.68796 0.25000 0.07270 1.00000
Sb4 Sb 0.95235 0.75000 0.25000 1.00000
Sb5 Sb 0.31204 0.75000 0.92730 1.00000
Sb6 Sb 0.31204 0.75000 0.57270 1.00000
Tc1 Tc 0.18870 0.00617 0.40629 1.00000
Tc2 Tc 0.18870 0.00617 0.09371 1.00000
Tc3 Tc 0.53622 0.97803 0.75000 1.00000
Tc4 Tc 0.46378 0.02197 0.25000 1.00000
Tc5 Tc 0.81130 0.99383 0.90629 1.00000
Tc6 Tc 0.81130 0.99383 0.59371 1.00000
Tc7 Tc 0.96684 0.25000 0.25000 1.00000
Tc8 Tc 0.32275 0.25000 0.91987 1.00000
Tc9 Tc 0.32275 0.25000 0.58013 1.00000
Tc10 Tc 0.18870 0.49383 0.40629 1.00000
Tc11 Tc 0.18870 0.49383 0.09371 1.00000
Tc12 Tc 0.53622 0.52197 0.75000 1.00000
Tc13 Tc 0.46378 0.47803 0.25000 1.00000
Tc14 Tc 0.81130 0.50617 0.90629 1.00000
Tc15 Tc 0.81130 0.50617 0.59371 1.00000
Tc16 Tc 0.03316 0.75000 0.75000 1.00000
Tc17 Tc 0.67725 0.75000 0.41987 1.00000
Tc18 Tc 0.67725 0.75000 0.08013 1.00000
