Th3TcPt
Alexandria ALEXAlex-ID: agm005777729 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7426_spg8
Th4TcPt3 Th7Tc3 ThPt
2023-07-06 01:58:53.318806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777729).
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 agm005777729
data_agm005777729
_cell_length_a 4.01997
_cell_length_b 7.80357
_cell_length_c 9.17632
_cell_angle_alpha 104.94235
_cell_angle_beta 102.65293
_cell_angle_gamma 90.00040
_cell_volume 270.88666
_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 0.98317 0.43650 0.24634 1.00000
Th2 Th 0.99037 0.95846 0.26071 1.00000
Th3 Th 0.33094 0.55072 0.94192 1.00000
Th4 Th 0.81185 0.10003 0.90377 1.00000
Th5 Th 0.16598 0.76858 0.61201 1.00000
Th6 Th 0.63877 0.35062 0.55761 1.00000
Tc1 Tc 0.77112 0.71622 0.82228 1.00000
Tc2 Tc 0.45009 0.18259 0.18019 1.00000
Pt1 Pt 0.52477 0.71340 0.32951 1.00000
Pt2 Pt 0.20060 0.16440 0.68129 1.00000
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