Th6Tc2Pb
Alexandria ALEXAlex-ID: agm005707253 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1783_spg71
Th5Pb4 Th7Tc3 Th
2023-07-09 18:54:16.807632
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707253).
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 agm005707253
data_agm005707253
_cell_length_a 8.76834
_cell_length_b 8.76834
_cell_length_c 8.76834
_cell_angle_alpha 101.28921
_cell_angle_beta 112.81953
_cell_angle_gamma 114.60806
_cell_volume 511.03357
_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 0.48239 0.29691 0.18549 1.00000
Th2 Th 0.51761 0.70309 0.81451 1.00000
Th3 Th 0.88857 0.70309 0.18549 1.00000
Th4 Th 0.11143 0.29691 0.81451 1.00000
Th5 Th 0.20623 0.75984 0.96607 1.00000
Th6 Th 0.79377 0.24016 0.03393 1.00000
Th7 Th 0.79377 0.75984 0.55362 1.00000
Th8 Th 0.20623 0.24016 0.44638 1.00000
Th9 Th 0.30780 0.97561 0.66781 1.00000
Th10 Th 0.69220 0.02439 0.33219 1.00000
Th11 Th 0.69220 0.36001 0.66781 1.00000
Th12 Th 0.30780 0.63999 0.33219 1.00000
Tc1 Tc 0.50000 0.36519 0.86519 1.00000
Tc2 Tc 0.50000 0.63481 0.13481 1.00000
Tc3 Tc 0.33434 1.00000 0.33434 1.00000
Tc4 Tc 0.66566 0.00000 0.66566 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
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