Pr4Zn3Hg
Alexandria ALEXAlex-ID: agm014100337 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Pr2ZnHg Pr5Zn4Hg
2025-01-25 10:49:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014100337).
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
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# CIF generated by HEAS from Alexandria entry agm014100337
data_agm014100337
_cell_length_a 8.39133
_cell_length_b 8.39133
_cell_length_c 8.39133
_cell_angle_alpha 143.10768
_cell_angle_beta 143.10768
_cell_angle_gamma 53.16374
_cell_volume 211.61385
_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 0.36981 0.86981 0.50000 1.00000
Pr2 Pr 0.63019 0.13019 0.50000 1.00000
Pr3 Pr 0.13019 0.63019 0.50000 1.00000
Pr4 Pr 0.86981 0.36981 0.50000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 0.25095 0.25095 0.00000 1.00000
Zn3 Zn 0.74905 0.74905 0.00000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
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