Ta2TcI2
Alexandria ALEXAlex-ID: agm003022012 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_3_spg127
Ta5Tc3 Ta3I7 TaTc
2016-12-05 14:31:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003022012).
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 agm003022012
data_agm003022012
_cell_length_a 7.65647
_cell_length_b 7.65647
_cell_length_c 3.43358
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 201.28178
_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
I1 I 0.33444 0.83444 0.00000 1.00000
I2 I 0.83444 0.66556 0.00000 1.00000
I3 I 0.66556 0.16556 0.00000 1.00000
I4 I 0.16556 0.33444 0.00000 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.50000 0.50000 0.00000 1.00000
Ta1 Ta 0.13581 0.63581 0.50000 1.00000
Ta2 Ta 0.63581 0.86419 0.50000 1.00000
Ta3 Ta 0.86419 0.36419 0.50000 1.00000
Ta4 Ta 0.36419 0.13581 0.50000 1.00000
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