TcI3
Alexandria ALEXAlex-ID: agm005543492 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_958_spg59
TcI4 Tc
2023-05-28 20:40:04.110274
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543492).
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 agm005543492
data_agm005543492
_cell_length_a 3.61582
_cell_length_b 11.85407
_cell_length_c 7.81843
_cell_angle_alpha 92.46740
_cell_angle_beta 90.00009
_cell_angle_gamma 89.99886
_cell_volume 334.80387
_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
Tc1 Tc 0.25005 0.25895 0.66455 1.00000
Tc2 Tc 0.74995 0.74105 0.33545 1.00000
I1 I 0.74999 0.22295 0.40016 1.00000
I2 I 0.74997 0.12626 0.83456 1.00000
I3 I 0.74997 0.42617 0.75982 1.00000
I4 I 0.25001 0.77705 0.59984 1.00000
I5 I 0.25003 0.87374 0.16544 1.00000
I6 I 0.25003 0.57383 0.24018 1.00000
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