Th6Sn2HRu
Alexandria ALEXAlex-ID: agm007452210 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_649_spg1
Th3Sn2 ThH2 Th7Ru3 Th
2024-03-16 23:02:27.712673
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007452210).
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 agm007452210
data_agm007452210
_cell_length_a 7.05646
_cell_length_b 7.01898
_cell_length_c 7.25670
_cell_angle_alpha 91.82611
_cell_angle_beta 114.04244
_cell_angle_gamma 120.97135
_cell_volume 267.71563
_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 0.95307 0.24141 0.70423 1.00000
Th2 Th 0.48649 0.72136 0.19999 1.00000
Th3 Th 0.04693 0.75859 0.29577 1.00000
Th4 Th 0.02793 0.26990 0.28852 1.00000
Th5 Th 0.51351 0.27864 0.80001 1.00000
Th6 Th 0.97207 0.73010 0.71148 1.00000
Sn1 Sn 0.48276 0.75157 0.72851 1.00000
Sn2 Sn 0.51724 0.24843 0.27149 1.00000
H1 H 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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