PrEr2TmTl4
Alexandria ALEXAlex-ID: agm004807828 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
Pr3Tl5 Tm5Tl4 Er5Tl4 Pr2Tm3Tl4
2022-07-19 11:51:57.602726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004807828).
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 agm004807828
data_agm004807828
_cell_length_a 5.38078
_cell_length_b 5.38078
_cell_length_c 9.37323
_cell_angle_alpha 73.31983
_cell_angle_beta 73.31983
_cell_angle_gamma 60.00000
_cell_volume 221.73881
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.75094 0.75094 0.74719 1.00000
Er2 Er 0.24906 0.24906 0.25281 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tl1 Tl 0.37761 0.37761 0.86717 1.00000
Tl2 Tl 0.87278 0.87278 0.38166 1.00000
Tl3 Tl 0.12722 0.12722 0.61834 1.00000
Tl4 Tl 0.62239 0.62239 0.13283 1.00000
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