Pr6Ga2Au
Alexandria ALEXAlex-ID: agm005702239 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Pr5Ga3 Pr2Au Pr
2023-07-07 05:08:14.586692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702239).
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 agm005702239
data_agm005702239
_cell_length_a 8.88429
_cell_length_b 8.88429
_cell_length_c 8.88429
_cell_angle_alpha 106.89248
_cell_angle_beta 111.40264
_cell_angle_gamma 110.15150
_cell_volume 538.93407
_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 0.44099 0.26688 0.17411 1.00000
Pr2 Pr 0.55901 0.73312 0.82589 1.00000
Pr3 Pr 0.90723 0.73312 0.17411 1.00000
Pr4 Pr 0.09277 0.26688 0.82589 1.00000
Pr5 Pr 0.19366 0.74422 0.93788 1.00000
Pr6 Pr 0.80634 0.25578 0.06212 1.00000
Pr7 Pr 0.80634 0.74422 0.55056 1.00000
Pr8 Pr 0.19366 0.25578 0.44944 1.00000
Pr9 Pr 0.29154 0.96373 0.67220 1.00000
Pr10 Pr 0.70846 0.03627 0.32780 1.00000
Pr11 Pr 0.70846 0.38066 0.67220 1.00000
Pr12 Pr 0.29154 0.61934 0.32780 1.00000
Ga1 Ga 0.50000 0.37822 0.87822 1.00000
Ga2 Ga 0.50000 0.62179 0.12178 1.00000
Ga3 Ga 0.35982 1.00000 0.35982 1.00000
Ga4 Ga 0.64018 0.00000 0.64018 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
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