Pr12GaPd7
Alexandria ALEXAlex-ID: agm013169446 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_8_spg140
Pr7Pd3 PrGa PrPd
2024-07-09 12:30:29.626632
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013169446).
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 agm013169446
data_agm013169446
_cell_length_a 11.30768
_cell_length_b 11.30768
_cell_length_c 11.30768
_cell_angle_alpha 114.46281
_cell_angle_beta 114.46281
_cell_angle_gamma 99.89219
_cell_volume 1090.24944
_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 0.28971 0.56525 0.13078 1.00000
Pr2 Pr 0.56553 0.84107 0.13078 1.00000
Pr3 Pr 0.71029 0.43475 0.86922 1.00000
Pr4 Pr 0.78971 0.65893 0.72446 1.00000
Pr5 Pr 0.43475 0.56553 0.72446 1.00000
Pr6 Pr 0.84107 0.71029 0.27554 1.00000
Pr7 Pr 0.06553 0.93475 0.72446 1.00000
Pr8 Pr 0.34107 0.06553 0.13078 1.00000
Pr9 Pr 0.93475 0.21029 0.86922 1.00000
Pr10 Pr 0.43447 0.15893 0.86922 1.00000
Pr11 Pr 0.17325 0.67325 0.84650 1.00000
Pr12 Pr 0.21029 0.34107 0.27554 1.00000
Pr13 Pr 0.56525 0.43447 0.27554 1.00000
Pr14 Pr 0.15893 0.28971 0.72446 1.00000
Pr15 Pr 0.86200 0.36200 0.50000 1.00000
Pr16 Pr 0.36200 0.86200 0.50000 1.00000
Pr17 Pr 0.63800 0.13800 0.50000 1.00000
Pr18 Pr 0.13800 0.63800 0.50000 1.00000
Pr19 Pr 0.32675 0.17325 0.50000 1.00000
Pr20 Pr 0.65893 0.93447 0.86922 1.00000
Pr21 Pr 0.67325 0.82675 0.50000 1.00000
Pr22 Pr 0.82675 0.32675 0.15350 1.00000
Pr23 Pr 0.93447 0.06525 0.27554 1.00000
Pr24 Pr 0.06525 0.78971 0.13078 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.47628 0.62611 0.50000 1.00000
Pd2 Pd 0.52372 0.37389 0.50000 1.00000
Pd3 Pd 0.87389 0.02372 0.50000 1.00000
Pd4 Pd 0.62611 0.12611 0.14983 1.00000
Pd5 Pd 0.02372 0.52372 0.14983 1.00000
Pd6 Pd 0.37389 0.87389 0.85017 1.00000
Pd7 Pd 0.62442 0.12442 0.74883 1.00000
Pd8 Pd 0.87558 0.62442 0.50000 1.00000
Pd9 Pd 0.12442 0.37558 0.50000 1.00000
Pd10 Pd 0.37558 0.87558 0.25117 1.00000
Pd11 Pd 0.75000 0.75000 0.00000 1.00000
Pd12 Pd 0.25000 0.25000 0.00000 1.00000
Pd13 Pd 0.12611 0.97628 0.50000 1.00000
Pd14 Pd 0.97628 0.47628 0.85017 1.00000
