Sm6Er2Tl
Alexandria ALEXAlex-ID: agm005681111 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1745_spg2
SmEr2 Sm5Tl3 Sm
2023-07-12 23:08:52.529298
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681111).
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 agm005681111
data_agm005681111
_cell_length_a 6.26882
_cell_length_b 11.11669
_cell_length_c 11.87587
_cell_angle_alpha 46.35683
_cell_angle_beta 105.30793
_cell_angle_gamma 106.37279
_cell_volume 571.73346
_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 0.72962 0.47145 0.63530 1.00000
Sm2 Sm 0.74181 0.30739 0.47074 1.00000
Sm3 Sm 0.27063 0.52842 0.36489 1.00000
Sm4 Sm 0.25812 0.69285 0.52903 1.00000
Sm5 Sm 0.82807 0.91073 0.41604 1.00000
Sm6 Sm 0.50096 0.58959 0.08363 1.00000
Sm7 Sm 0.17183 0.08920 0.58407 1.00000
Sm8 Sm 0.49890 0.41047 0.91626 1.00000
Sm9 Sm 0.03614 0.80674 0.97153 1.00000
Sm10 Sm 0.37742 0.97127 0.13538 1.00000
Sm11 Sm 0.96379 0.19300 0.02871 1.00000
Sm12 Sm 0.62279 0.02888 0.86443 1.00000
Er1 Er 0.60849 0.85872 0.69512 1.00000
Er2 Er 0.94556 0.35838 0.19530 1.00000
Er3 Er 0.39150 0.14131 0.30485 1.00000
Er4 Er 0.05445 0.64159 0.80473 1.00000
Tl1 Tl 0.16930 0.24997 0.75004 1.00000
Tl2 Tl 0.83062 0.75005 0.24996 1.00000
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