SmTh2H7
Alexandria ALEXAlex-ID: agm006209342 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_313_spg2
Sm2ThH6 SmTh3H8 ThH3
2024-02-01 13:16:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209342).
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 agm006209342
data_agm006209342
_cell_length_a 3.66993
_cell_length_b 3.66969
_cell_length_c 9.19908
_cell_angle_alpha 78.09837
_cell_angle_beta 101.89991
_cell_angle_gamma 91.97081
_cell_volume 118.61606
_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
H1 H 0.08528 0.84345 0.17114 1.00000
H2 H 0.92584 0.00329 0.85190 1.00000
H3 H 0.42568 0.50314 0.85189 1.00000
H4 H 0.17273 0.25628 0.34634 1.00000
H5 H 0.25895 0.67019 0.51792 1.00000
H6 H 0.58555 0.34369 0.17116 1.00000
H7 H 0.75876 0.17004 0.51792 1.00000
Th1 Th 0.34346 0.08547 0.68707 1.00000
Th2 Th 0.67083 0.75815 0.34199 1.00000
Sm1 Sm 0.00531 0.42368 0.01084 1.00000
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