PrNd4Hg7
Alexandria ALEXAlex-ID: agm003669733 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Nd3Hg4 Pr3Hg5
2022-04-20 13:36:53.561745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669733).
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 agm003669733
data_agm003669733
_cell_length_a 5.72258
_cell_length_b 9.97793
_cell_length_c 7.09570
_cell_angle_alpha 82.43168
_cell_angle_beta 66.21893
_cell_angle_gamma 73.33580
_cell_volume 355.12880
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.58153 0.22292 0.61402 1.00000
Nd2 Nd 0.41847 0.77708 0.38598 1.00000
Nd3 Nd 0.74376 0.66941 0.84307 1.00000
Nd4 Nd 0.25624 0.33059 0.15693 1.00000
Hg1 Hg 0.79256 0.91179 0.50310 1.00000
Hg2 Hg 0.20744 0.08821 0.49690 1.00000
Hg3 Hg 0.07508 0.66960 0.18023 1.00000
Hg4 Hg 0.92492 0.33040 0.81977 1.00000
Hg5 Hg 0.36196 0.53817 0.73791 1.00000
Hg6 Hg 0.50000 0.00000 0.00000 1.00000
Hg7 Hg 0.63804 0.46183 0.26209 1.00000
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