Pm(Er3Tl2)2
Alexandria ALEXAlex-ID: agm003662452 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_3_spg187
Er9Tl4 Pm2Er3Tl4
2022-04-08 12:32:03.848851
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662452).
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
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# CIF generated by HEAS from Alexandria entry agm003662452
data_agm003662452
_cell_length_a 3.74407
_cell_length_b 10.00692
_cell_length_c 10.00692
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 324.69473
_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
Er1 Er 0.00000 0.53899 0.07798 1.00000
Er2 Er 0.50000 0.61700 0.80850 1.00000
Er3 Er 0.00000 0.53899 0.46101 1.00000
Er4 Er 0.00000 0.92202 0.46101 1.00000
Er5 Er 0.50000 0.19150 0.80850 1.00000
Er6 Er 0.50000 0.19150 0.38300 1.00000
Tl1 Tl 0.50000 0.83661 0.67322 1.00000
Tl2 Tl 0.50000 0.32678 0.16339 1.00000
Tl3 Tl 0.50000 0.83661 0.16339 1.00000
Tl4 Tl 0.00000 0.33333 0.66667 1.00000
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