Pr2MgHgOs
Alexandria ALEXAlex-ID: agm048854664 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_28_spg11
PrMgHg Pr5Hg2Os Pr4MgOs PrOs2
2025-03-29 13:37:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048854664).
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 agm048854664
data_agm048854664
_cell_length_a 8.19125
_cell_length_b 4.41737
_cell_length_c 8.09562
_cell_angle_alpha 90.00000
_cell_angle_beta 113.19460
_cell_angle_gamma 90.00000
_cell_volume 269.25345
_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 0.60049 0.75000 0.85488 1.00000
Pr2 Pr 0.79961 0.75000 0.45936 1.00000
Pr3 Pr 0.39951 0.25000 0.14512 1.00000
Pr4 Pr 0.20039 0.25000 0.54064 1.00000
Mg1 Mg 0.91987 0.25000 0.82955 1.00000
Mg2 Mg 0.08013 0.75000 0.17045 1.00000
Hg1 Hg 0.82906 0.25000 0.16390 1.00000
Hg2 Hg 0.17094 0.75000 0.83610 1.00000
Os1 Os 0.56153 0.25000 0.55095 1.00000
Os2 Os 0.43847 0.75000 0.44905 1.00000
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