Th4SnSb3
Alexandria ALEXAlex-ID: agm048234792 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_9_spg5
ThSn2 Th5Sn4 ThSb
2025-07-01 11:53:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048234792).
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 agm048234792
data_agm048234792
_cell_length_a 7.82064
_cell_length_b 7.82064
_cell_length_c 7.82064
_cell_angle_alpha 131.83821
_cell_angle_beta 131.83821
_cell_angle_gamma 70.48468
_cell_volume 260.15671
_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 0.50000 0.00000 0.50000 1.00000
Th2 Th 0.00000 0.50000 0.50000 1.00000
Th3 Th 0.74920 0.74920 0.00000 1.00000
Th4 Th 0.25080 0.25080 0.00000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.75000 0.25000 0.50000 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
Sb3 Sb 0.25000 0.75000 0.50000 1.00000
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