Pr6Al3Co4GePt
Alexandria ALEXAlex-ID: agm010628544 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4E6_5_spg187
Pr4Co Pr7Pt3 Pr5CoGe2 PrCo AlCo
2024-05-28 06:10:28.865268
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010628544).
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 agm010628544
data_agm010628544
_cell_length_a 9.45670
_cell_length_b 9.45670
_cell_length_c 4.15708
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 321.95724
_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 0.35933 0.17967 0.00000 1.00000
Pr2 Pr 0.82033 0.17967 0.00000 1.00000
Pr3 Pr 0.82033 0.64067 0.00000 1.00000
Pr4 Pr 0.06623 0.53311 0.50000 1.00000
Pr5 Pr 0.46689 0.53311 0.50000 1.00000
Pr6 Pr 0.46689 0.93377 0.50000 1.00000
Al1 Al 0.80648 0.90324 0.50000 1.00000
Al2 Al 0.09676 0.90324 0.50000 1.00000
Al3 Al 0.09676 0.19352 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.64717 0.82358 0.00000 1.00000
Co3 Co 0.17642 0.82358 0.00000 1.00000
Co4 Co 0.17642 0.35283 0.00000 1.00000
Ge1 Ge 0.66667 0.33333 0.50000 1.00000
Pt1 Pt 0.33333 0.66667 0.00000 1.00000
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