Pm2SmErTl4
Alexandria ALEXAlex-ID: agm044754222 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_471_spg47
Pm3ErTl4 SmTl Pm3Tl5 Pm2Er3Tl4
2024-11-08 15:46:12.652584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044754222).
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 agm044754222
data_agm044754222
_cell_length_a 7.68548
_cell_length_b 7.68548
_cell_length_c 7.70956
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 455.37726
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Pm3 Pm 0.50000 0.00000 0.50000 1.00000
Pm4 Pm 0.00000 0.50000 0.50000 1.00000
Sm1 Sm 0.00000 0.50000 0.00000 1.00000
Sm2 Sm 0.50000 0.00000 0.00000 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.50000 0.50000 0.00000 1.00000
Tl1 Tl 0.74388 0.74388 0.24898 1.00000
Tl2 Tl 0.25612 0.25612 0.24898 1.00000
Tl3 Tl 0.74388 0.74388 0.75102 1.00000
Tl4 Tl 0.25612 0.25612 0.75102 1.00000
Tl5 Tl 0.25612 0.74388 0.24898 1.00000
Tl6 Tl 0.25612 0.74388 0.75102 1.00000
Tl7 Tl 0.74388 0.25612 0.24898 1.00000
Tl8 Tl 0.74388 0.25612 0.75102 1.00000
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