Pr3TmMg3
Alexandria ALEXAlex-ID: agm005993265 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_294_spg65
Tm PrMg
2023-08-07 20:37:13.322216
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993265).
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 agm005993265
data_agm005993265
_cell_length_a 7.85572
_cell_length_b 7.85572
_cell_length_c 7.17598
_cell_angle_alpha 90.00076
_cell_angle_beta 90.00078
_cell_angle_gamma 92.57181
_cell_volume 442.40044
_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 0.75336 1.00000
Pr2 Pr 0.50000 0.99999 0.25349 1.00000
Pr3 Pr 0.99999 0.50000 0.25349 1.00000
Pr4 Pr 0.50000 0.00001 0.74651 1.00000
Pr5 Pr 0.00001 0.50000 0.74651 1.00000
Pr6 Pr 1.00000 1.00000 0.24664 1.00000
Tm1 Tm 0.30971 0.30971 0.00003 1.00000
Tm2 Tm 0.69029 0.69029 0.99997 1.00000
Mg1 Mg 0.28186 0.28186 0.49997 1.00000
Mg2 Mg 0.31737 0.68263 0.50000 1.00000
Mg3 Mg 0.68263 0.31737 0.50000 1.00000
Mg4 Mg 0.25994 0.74006 1.00000 1.00000
Mg5 Mg 0.74006 0.25994 0.00000 1.00000
Mg6 Mg 0.71814 0.71814 0.50003 1.00000
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