SrTmTh2
Alexandria ALEXAlex-ID: agm013162003 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_43_spg59
Tm2Th Sr Th
2024-06-01 20:02:27.432706
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013162003).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm013162003
data_agm013162003
_cell_length_a 5.83732
_cell_length_b 6.33886
_cell_length_c 7.61571
_cell_angle_alpha 88.60516
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 281.71241
_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
Sr1 Sr 0.75000 0.92831 0.13272 1.00000
Sr2 Sr 0.25000 0.07169 0.86728 1.00000
Tm1 Tm 0.75000 0.41385 0.39233 1.00000
Tm2 Tm 0.25000 0.58615 0.60767 1.00000
Th1 Th 0.75000 0.90453 0.61012 1.00000
Th2 Th 0.25000 0.54331 0.14674 1.00000
Th3 Th 0.75000 0.45669 0.85326 1.00000
Th4 Th 0.25000 0.09547 0.38988 1.00000
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