Pr4Mg3Tl
Alexandria ALEXAlex-ID: agm005961840 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_88_spg166
PrMgTl Pr6Mg5Tl Pr
2023-09-29 11:54:00.337792
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961840).
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 agm005961840
data_agm005961840
_cell_length_a 5.52891
_cell_length_b 5.52891
_cell_length_c 9.59813
_cell_angle_alpha 73.26055
_cell_angle_beta 73.26055
_cell_angle_gamma 60.00000
_cell_volume 239.63061
_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 0.87471 0.87471 0.37588 1.00000
Pr2 Pr 0.37547 0.37547 0.87359 1.00000
Pr3 Pr 0.12529 0.12529 0.62412 1.00000
Pr4 Pr 0.62453 0.62453 0.12641 1.00000
Mg1 Mg 0.24781 0.24781 0.25656 1.00000
Mg2 Mg 0.75219 0.75219 0.74344 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
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