Tc2As2Pb
Alexandria ALEXAlex-ID: agm002909899 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
Tc2As3 Tc Pb
2023-03-24 06:26:50.468534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002909899).
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 agm002909899
data_agm002909899
_cell_length_a 3.91015
_cell_length_b 3.91015
_cell_length_c 6.64918
_cell_angle_alpha 72.90049
_cell_angle_beta 72.90049
_cell_angle_gamma 90.00000
_cell_volume 92.45498
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
As1 As 0.75000 0.25000 0.50000 1.00000
As2 As 0.25000 0.75000 0.50000 1.00000
Tc1 Tc 0.37976 0.37976 0.24048 1.00000
Tc2 Tc 0.62024 0.62024 0.75952 1.00000
