Er4ThTl
Alexandria ALEXAlex-ID: agm003752011 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
Er9Tl4 Er2Th Er5Tl3
2022-04-18 11:00:25.302177
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752011).
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 agm003752011
data_agm003752011
_cell_length_a 5.20885
_cell_length_b 5.20982
_cell_length_c 7.71541
_cell_angle_alpha 89.98579
_cell_angle_beta 89.99263
_cell_angle_gamma 90.00598
_cell_volume 209.37413
_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 0.50134 0.99718 0.23747 1.00000
Er2 Er 0.50130 0.99735 0.75877 1.00000
Er3 Er 0.00135 0.49722 0.75875 1.00000
Er4 Er 0.00124 0.49732 0.23757 1.00000
Th1 Th 0.00133 0.99729 0.49811 1.00000
Tl1 Tl 0.50124 0.49736 0.99816 1.00000
