TcSe
Alexandria ALEXAlex-ID: agm005457972 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1526_spg12
TcSe2 Tc
2023-03-21 22:19:06.013878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005457972).
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 agm005457972
data_agm005457972
_cell_length_a 5.10868
_cell_length_b 5.10868
_cell_length_c 6.97199
_cell_angle_alpha 70.96135
_cell_angle_beta 70.96135
_cell_angle_gamma 35.08238
_cell_volume 98.27116
_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 0.32792 0.32792 0.34209 1.00000
Tc2 Tc 0.96421 0.96421 0.57652 1.00000
Tc3 Tc 0.28460 0.28460 0.92816 1.00000
Se1 Se 0.94769 0.94769 0.02658 1.00000
Se2 Se 0.70297 0.70297 0.67313 1.00000
Se3 Se 0.60593 0.60593 0.28684 1.00000
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