Pr7NdHg4
Alexandria ALEXAlex-ID: agm003669732 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
Nd2Hg Pr2Hg
2022-04-27 12:36:04.986612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669732).
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 agm003669732
data_agm003669732
_cell_length_a 5.94099
_cell_length_b 9.25621
_cell_length_c 8.11846
_cell_angle_alpha 71.25674
_cell_angle_beta 68.53740
_cell_angle_gamma 71.28149
_cell_volume 382.83465
_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 0.79026 0.89119 0.52828 1.00000
Pr2 Pr 0.20974 0.10881 0.47172 1.00000
Pr3 Pr 0.06291 0.59871 0.27547 1.00000
Pr4 Pr 0.93709 0.40129 0.72453 1.00000
Pr5 Pr 0.27037 0.68155 0.77771 1.00000
Pr6 Pr 0.50000 0.00000 0.00000 1.00000
Pr7 Pr 0.72963 0.31845 0.22229 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.54476 0.27284 0.63764 1.00000
Hg2 Hg 0.45524 0.72716 0.36236 1.00000
Hg3 Hg 0.68953 0.65684 0.96410 1.00000
Hg4 Hg 0.31047 0.34316 0.03590 1.00000
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