Pr7HgGe5
Alexandria ALEXAlex-ID: agm003679062 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_33_spg44
Pr3Hg5 Pr4Ge3 PrGe
2022-04-10 06:46:46.889221
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679062).
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 agm003679062
data_agm003679062
_cell_length_a 6.33490
_cell_length_b 8.25685
_cell_length_c 8.25685
_cell_angle_alpha 86.09669
_cell_angle_beta 67.44222
_cell_angle_gamma 67.44222
_cell_volume 366.74190
_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 0.66037 0.33963 0.33963 1.00000
Pr2 Pr 0.27413 0.72587 0.72587 1.00000
Pr3 Pr 0.97621 0.33969 0.70790 1.00000
Pr4 Pr 0.97621 0.70790 0.33969 1.00000
Pr5 Pr 0.29447 0.20553 0.20553 1.00000
Pr6 Pr 0.54111 0.79031 0.12746 1.00000
Pr7 Pr 0.54111 0.12746 0.79031 1.00000
Hg1 Hg 0.96836 0.03164 0.03164 1.00000
Ge1 Ge 0.45800 0.01202 0.48868 1.00000
Ge2 Ge 0.04131 0.01202 0.48868 1.00000
Ge3 Ge 0.45800 0.48868 0.01202 1.00000
Ge4 Ge 0.04131 0.48868 0.01202 1.00000
Ge5 Ge 0.76942 0.73058 0.73058 1.00000
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