Pr6MgPd2
Alexandria ALEXAlex-ID: agm005806824 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1783_spg71
Pr7Pd3 PrMgPd Pr
2023-07-08 17:04:31.573559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806824).
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 agm005806824
data_agm005806824
_cell_length_a 8.94185
_cell_length_b 8.94185
_cell_length_c 8.94185
_cell_angle_alpha 104.70034
_cell_angle_beta 110.58801
_cell_angle_gamma 113.24044
_cell_volume 547.22529
_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 0.53050 0.71201 0.81849 1.00000
Pr2 Pr 0.46950 0.28799 0.18151 1.00000
Pr3 Pr 0.10648 0.28799 0.81849 1.00000
Pr4 Pr 0.89352 0.71201 0.18151 1.00000
Pr5 Pr 0.80366 0.76162 0.56528 1.00000
Pr6 Pr 0.19634 0.23838 0.43472 1.00000
Pr7 Pr 0.19634 0.76162 0.95797 1.00000
Pr8 Pr 0.80366 0.23838 0.04203 1.00000
Pr9 Pr 0.69733 0.37392 0.67659 1.00000
Pr10 Pr 0.30267 0.62608 0.32341 1.00000
Pr11 Pr 0.30267 0.97926 0.67659 1.00000
Pr12 Pr 0.69733 0.02074 0.32341 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.37210 0.87210 1.00000
Pd2 Pd 0.50000 0.62790 0.12790 1.00000
Pd3 Pd 0.65740 0.00000 0.65740 1.00000
Pd4 Pd 0.34260 1.00000 0.34260 1.00000
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