Sm2Ho2Tl3
Alexandria ALEXAlex-ID: agm003305751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_213_spg12
Sm3Ho2Tl3 Sm2Ho3Tl4 Sm5Tl3
2022-02-03 23:32:46.459525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003305751).
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 agm003305751
data_agm003305751
_cell_length_a 3.79819
_cell_length_b 8.57255
_cell_length_c 6.53669
_cell_angle_alpha 95.42849
_cell_angle_beta 73.12872
_cell_angle_gamma 90.04270
_cell_volume 202.68153
_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
Sm1 Sm 0.70446 0.84292 0.59252 1.00000
Sm2 Sm 0.29554 0.15708 0.40748 1.00000
Ho1 Ho 0.56538 0.28331 0.86905 1.00000
Ho2 Ho 0.43462 0.71669 0.13095 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.85300 0.45494 0.29378 1.00000
Tl3 Tl 0.14700 0.54506 0.70622 1.00000
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