Er7Tl5
Alexandria ALEXAlex-ID: agm003293289 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_99_spg12
Er5Tl3 Er5Tl4
2022-01-17 05:04:38.081164
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293289).
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 agm003293289
data_agm003293289
_cell_length_a 5.00545
_cell_length_b 6.58229
_cell_length_c 11.97400
_cell_angle_alpha 108.77995
_cell_angle_beta 90.00000
_cell_angle_gamma 112.34739
_cell_volume 342.06421
_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 0.35643 0.71285 0.71575 1.00000
Er2 Er 0.64357 0.28715 0.28425 1.00000
Er3 Er 0.92682 0.85365 0.23674 1.00000
Er4 Er 0.07318 0.14635 0.76326 1.00000
Er5 Er 0.65022 0.30045 0.00170 1.00000
Er6 Er 0.50000 0.00000 0.50000 1.00000
Er7 Er 0.34978 0.69955 0.99830 1.00000
Tl1 Tl 0.15301 0.30601 0.46972 1.00000
Tl2 Tl 0.84699 0.69399 0.53028 1.00000
Tl3 Tl 0.26587 0.53173 0.21828 1.00000
Tl4 Tl 0.73413 0.46827 0.78172 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
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