Er6Tl5Pb
Alexandria ALEXAlex-ID: agm006111604 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
ErTl2 ErTl Er5Pb3
2023-08-26 09:22:51.585190
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111604).
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 agm006111604
data_agm006111604
_cell_length_a 5.35697
_cell_length_b 9.26782
_cell_length_c 9.26782
_cell_angle_alpha 120.29796
_cell_angle_beta 106.80572
_cell_angle_gamma 106.80575
_cell_volume 323.38098
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.16923 0.83077 1.00000
Tl2 Tl 0.00000 0.33398 0.66602 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Tl4 Tl 1.00000 0.66602 0.33398 1.00000
Tl5 Tl 0.50000 0.83077 0.16923 1.00000
Er1 Er 0.24997 0.08320 0.41685 1.00000
Er2 Er 0.75003 0.58315 0.91680 1.00000
Er3 Er 0.75004 0.25024 0.25024 1.00000
Er4 Er 0.24996 0.74976 0.74976 1.00000
Er5 Er 0.24997 0.41685 0.08320 1.00000
Er6 Er 0.75003 0.91680 0.58315 1.00000
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