Er4Sc5Tl2
Alexandria ALEXAlex-ID: agm005683333 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_294_spg166
Er3Sc2Tl3 Er Sc
2023-06-22 14:10:14.756496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683333).
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 agm005683333
data_agm005683333
_cell_length_a 4.97670
_cell_length_b 4.97670
_cell_length_c 15.50294
_cell_angle_alpha 80.76369
_cell_angle_beta 80.76364
_cell_angle_gamma 59.99991
_cell_volume 326.76589
_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
Er1 Er 0.72263 0.72263 0.83210 1.00000
Er2 Er 0.57191 0.57191 0.28428 1.00000
Er3 Er 0.42809 0.42809 0.71572 1.00000
Er4 Er 0.27737 0.27737 0.16790 1.00000
Sc1 Sc 0.80221 0.80221 0.59338 1.00000
Sc2 Sc 0.64893 0.64893 0.05320 1.00000
Sc3 Sc 0.50000 0.50000 0.50000 1.00000
Sc4 Sc 0.35107 0.35107 0.94680 1.00000
Sc5 Sc 0.19779 0.19779 0.40662 1.00000
Tl1 Tl 0.12729 0.12729 0.61814 1.00000
Tl2 Tl 0.87271 0.87271 0.38186 1.00000
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