Pr2YHoHg4
Alexandria ALEXAlex-ID: agm045471544 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_471_spg47
PrHoHg2 Y5HoHg6 PrHg
2024-12-09 22:00:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045471544).
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 agm045471544
data_agm045471544
_cell_length_a 7.59122
_cell_length_b 7.59122
_cell_length_c 7.57017
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 436.24278
_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 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.50000 0.00000 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Pr4 Pr 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.00000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 0.26201 0.26201 0.73996 1.00000
Hg2 Hg 0.26201 0.26201 0.26004 1.00000
Hg3 Hg 0.73799 0.73799 0.73996 1.00000
Hg4 Hg 0.73799 0.73799 0.26004 1.00000
Hg5 Hg 0.26201 0.73799 0.73996 1.00000
Hg6 Hg 0.73799 0.26201 0.73996 1.00000
Hg7 Hg 0.26201 0.73799 0.26004 1.00000
Hg8 Hg 0.73799 0.26201 0.26004 1.00000
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