Li2Tc
Alexandria ALEXAlex-ID: agm005482876 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2455_spg12
Tc Li
2023-03-21 09:38:22.983913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005482876).
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 agm005482876
data_agm005482876
_cell_length_a 5.49670
_cell_length_b 5.49670
_cell_length_c 6.92773
_cell_angle_alpha 74.69368
_cell_angle_beta 74.69368
_cell_angle_gamma 26.12253
_cell_volume 88.71012
_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
Li1 Li 0.01038 0.01038 0.97790 1.00000
Li2 Li 0.34161 0.34161 0.31987 1.00000
Li3 Li 0.66739 0.66739 0.66445 1.00000
Li4 Li 0.60399 0.60399 0.29157 1.00000
Tc1 Tc 0.93069 0.93069 0.62815 1.00000
Tc2 Tc 0.27928 0.27928 0.95139 1.00000
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