Pm2Nd3Hg4
Alexandria ALEXAlex-ID: agm003336601 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_206_spg64
Nd2Hg PmNd3Hg4 Pm2Hg
2022-01-29 22:37:43.041646
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336601).
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 agm003336601
data_agm003336601
_cell_length_a 7.04170
_cell_length_b 8.30185
_cell_length_c 10.00178
_cell_angle_alpha 90.00000
_cell_angle_beta 110.61106
_cell_angle_gamma 90.00000
_cell_volume 547.27033
_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
Pm1 Pm 0.09426 0.58487 0.18853 1.00000
Pm2 Pm 0.90574 0.41513 0.81147 1.00000
Pm3 Pm 0.40574 0.08487 0.81147 1.00000
Pm4 Pm 0.59426 0.91513 0.18853 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.51035 0.75000 0.52070 1.00000
Nd4 Nd 0.98965 0.25000 0.47930 1.00000
Nd5 Nd 0.48965 0.25000 0.47930 1.00000
Nd6 Nd 0.01035 0.75000 0.52070 1.00000
Hg1 Hg 0.68081 0.75000 0.86162 1.00000
Hg2 Hg 0.81919 0.25000 0.13838 1.00000
Hg3 Hg 0.31919 0.25000 0.13838 1.00000
Hg4 Hg 0.18081 0.75000 0.86162 1.00000
Hg5 Hg 0.16318 0.96734 0.32637 1.00000
Hg6 Hg 0.83682 0.03266 0.67363 1.00000
Hg7 Hg 0.33682 0.46734 0.67363 1.00000
Hg8 Hg 0.66318 0.53266 0.32637 1.00000
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