Er3TlCu
Alexandria ALEXAlex-ID: agm005854331 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5510_spg11
Er14(TlCu)3 Er5Tl3 ErCu
2023-07-03 18:03:46.649278
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005854331).
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 agm005854331
data_agm005854331
_cell_length_a 3.71351
_cell_length_b 8.38696
_cell_length_c 8.64980
_cell_angle_alpha 103.50635
_cell_angle_beta 90.00002
_cell_angle_gamma 89.99999
_cell_volume 261.94817
_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 0.75000 0.69136 0.42103 1.00000
Er2 Er 0.25000 0.30864 0.57897 1.00000
Er3 Er 0.75000 0.30938 0.92256 1.00000
Er4 Er 0.25000 0.94269 0.78546 1.00000
Er5 Er 0.25000 0.69062 0.07744 1.00000
Er6 Er 0.75000 0.05731 0.21454 1.00000
Tl1 Tl 0.25000 0.39068 0.24049 1.00000
Tl2 Tl 0.75000 0.60932 0.75951 1.00000
Cu1 Cu 0.25000 0.94032 0.40821 1.00000
Cu2 Cu 0.75000 0.05968 0.59179 1.00000
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