Pr6Ga2Sb
Alexandria ALEXAlex-ID: agm005804117 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Pr5Ga3 Pr5Sb3 Pr
2023-07-07 05:09:14.206083
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804117).
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 agm005804117
data_agm005804117
_cell_length_a 8.99746
_cell_length_b 8.99746
_cell_length_c 8.99746
_cell_angle_alpha 103.64026
_cell_angle_beta 111.08527
_cell_angle_gamma 113.85466
_cell_volume 556.05001
_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 0.53003 0.71756 0.81248 1.00000
Pr2 Pr 0.46997 0.28244 0.18752 1.00000
Pr3 Pr 0.09492 0.28244 0.81248 1.00000
Pr4 Pr 0.90508 0.71756 0.18752 1.00000
Pr5 Pr 0.79747 0.76962 0.56709 1.00000
Pr6 Pr 0.20253 0.23038 0.43291 1.00000
Pr7 Pr 0.20253 0.76962 0.97215 1.00000
Pr8 Pr 0.79747 0.23038 0.02785 1.00000
Pr9 Pr 0.70818 0.38409 0.67591 1.00000
Pr10 Pr 0.29182 0.61591 0.32409 1.00000
Pr11 Pr 0.29182 0.96773 0.67591 1.00000
Pr12 Pr 0.70818 0.03227 0.32409 1.00000
Ga1 Ga 0.50000 0.38151 0.88151 1.00000
Ga2 Ga 0.50000 0.61849 0.11849 1.00000
Ga3 Ga 0.62965 1.00000 0.62965 1.00000
Ga4 Ga 0.37035 0.00000 0.37035 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
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