PmEr5TlIn2
Alexandria ALEXAlex-ID: agm005176945 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_41_spg140
Pm3Er2Tl3 Er9Tl4 Er2In PmEr8
2023-01-07 22:29:18.873210
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176945).
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 agm005176945
data_agm005176945
_cell_length_a 8.51961
_cell_length_b 8.51961
_cell_length_c 9.29676
_cell_angle_alpha 117.27120
_cell_angle_beta 117.27120
_cell_angle_gamma 90.00000
_cell_volume 513.95206
_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 0.25000 0.75000 0.50000 1.00000
Pm2 Pm 0.75000 0.25000 0.50000 1.00000
Er1 Er 0.92484 0.42484 0.26724 1.00000
Er2 Er 0.65760 0.15760 0.73276 1.00000
Er3 Er 0.07516 0.57516 0.73276 1.00000
Er4 Er 0.15760 0.07516 0.73276 1.00000
Er5 Er 0.57516 0.65760 0.73276 1.00000
Er6 Er 0.84240 0.92484 0.26724 1.00000
Er7 Er 0.42484 0.34240 0.26724 1.00000
Er8 Er 0.34240 0.84240 0.26724 1.00000
Er9 Er 0.50000 0.50000 0.00000 1.00000
Er10 Er 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.25000 0.25000 0.50000 1.00000
Tl2 Tl 0.75000 0.75000 0.50000 1.00000
In1 In 0.11086 0.38914 0.00000 1.00000
In2 In 0.61086 0.11086 1.00000 1.00000
In3 In 0.38914 0.88914 0.00000 1.00000
In4 In 0.88914 0.61086 0.00000 1.00000
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