Sm2(ErTl)5
Alexandria ALEXAlex-ID: agm003374549 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_47_spg12
Sm3Er2Tl3 Sm2Er3Tl4 Er5Tl3
2022-02-08 22:11:58.570799
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374549).
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 agm003374549
data_agm003374549
_cell_length_a 4.99526
_cell_length_b 6.57400
_cell_length_c 12.25694
_cell_angle_alpha 107.30553
_cell_angle_beta 90.00000
_cell_angle_gamma 112.32904
_cell_volume 352.54581
_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 0.06766 0.13532 0.76427 1.00000
Sm2 Sm 0.93234 0.86468 0.23573 1.00000
Er1 Er 0.50000 0.00000 0.50000 1.00000
Er2 Er 0.65190 0.30380 0.00983 1.00000
Er3 Er 0.65060 0.30120 0.29281 1.00000
Er4 Er 0.34940 0.69880 0.70719 1.00000
Er5 Er 0.34810 0.69620 0.99017 1.00000
Tl1 Tl 0.15306 0.30611 0.47234 1.00000
Tl2 Tl 0.74177 0.48355 0.78999 1.00000
Tl3 Tl 0.25823 0.51645 0.21001 1.00000
Tl4 Tl 0.84694 0.69389 0.52766 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
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