Pr2TmMg3
Alexandria ALEXAlex-ID: agm034688244 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_871_spg71
Pr2TmMg3
2025-04-15 06:45:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034688244).
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 agm034688244
data_agm034688244
_cell_length_a 8.63306
_cell_length_b 8.63306
_cell_length_c 3.87086
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.23749
_cell_volume 172.66357
_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 0.16593 0.83407 0.00000 1.00000
Pr2 Pr 0.83407 0.16593 0.00000 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Mg1 Mg 0.00000 0.00000 0.50000 1.00000
Mg2 Mg 0.66205 0.33795 0.50000 1.00000
Mg3 Mg 0.33795 0.66205 0.50000 1.00000
