Th4Tc2Pt
Alexandria ALEXAlex-ID: agm005994169 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_39_spg122
Th4TcPt3 ThTc2 Th7Tc3
2023-10-16 13:44:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994169).
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
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# CIF generated by HEAS from Alexandria entry agm005994169
data_agm005994169
_cell_length_a 7.70442
_cell_length_b 7.72648
_cell_length_c 7.72057
_cell_angle_alpha 108.74359
_cell_angle_beta 108.62563
_cell_angle_gamma 111.02334
_cell_volume 353.73656
_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 0.13493 0.76576 0.75007 1.00000
Th2 Th 0.73615 0.48646 0.87035 1.00000
Th3 Th 0.01224 0.38632 0.25225 1.00000
Th4 Th 0.61574 0.86613 0.62949 1.00000
Th5 Th 0.23723 0.98477 0.37117 1.00000
Th6 Th 0.61610 0.86355 0.12867 1.00000
Th7 Th 0.13493 0.26576 0.75002 1.00000
Th8 Th 0.51004 0.38406 0.24783 1.00000
Tc1 Tc 0.23629 0.62417 0.11057 1.00000
Tc2 Tc 0.51735 0.12519 0.89232 1.00000
Tc3 Tc 0.87573 0.76372 0.38958 1.00000
Tc4 Tc 0.37507 0.48296 0.60779 1.00000
Pt1 Pt 0.74812 0.24953 0.49792 1.00000
Pt2 Pt 0.00007 0.00162 0.00198 1.00000
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