Th3CoPb2
Alexandria ALEXAlex-ID: agm005753137 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
Th5Pb4 Th2Co2Pb ThCo
2023-08-17 14:35:15.604803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753137).
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 agm005753137
data_agm005753137
_cell_length_a 4.41289
_cell_length_b 11.69514
_cell_length_c 13.12152
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 677.19298
_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
Th1 Th 0.25000 0.39322 0.06074 1.00000
Th2 Th 0.75000 0.60678 0.93926 1.00000
Th3 Th 0.75000 0.89322 0.43926 1.00000
Th4 Th 0.25000 0.10678 0.56074 1.00000
Th5 Th 0.25000 0.72846 0.25430 1.00000
Th6 Th 0.75000 0.27154 0.74570 1.00000
Th7 Th 0.75000 0.22846 0.24570 1.00000
Th8 Th 0.25000 0.77154 0.75430 1.00000
Th9 Th 0.25000 0.46294 0.38597 1.00000
Th10 Th 0.75000 0.53706 0.61403 1.00000
Th11 Th 0.75000 0.96294 0.11403 1.00000
Th12 Th 0.25000 0.03706 0.88597 1.00000
Co1 Co 0.25000 0.16141 0.11706 1.00000
Co2 Co 0.75000 0.83859 0.88294 1.00000
Co3 Co 0.75000 0.66141 0.38294 1.00000
Co4 Co 0.25000 0.33859 0.61706 1.00000
Pb1 Pb 0.25000 0.70743 0.50898 1.00000
Pb2 Pb 0.75000 0.29257 0.49102 1.00000
Pb3 Pb 0.75000 0.20743 0.99102 1.00000
Pb4 Pb 0.25000 0.79257 0.00898 1.00000
Pb5 Pb 0.25000 0.02267 0.29705 1.00000
Pb6 Pb 0.75000 0.97733 0.70295 1.00000
Pb7 Pb 0.75000 0.52267 0.20295 1.00000
Pb8 Pb 0.25000 0.47733 0.79705 1.00000
