Pm3Nd3NiHg2
Alexandria ALEXAlex-ID: agm034008154 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_28_spg189
Nd2Hg Nd4NiHg Pm4NiHg
2025-01-22 21:17:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034008154).
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 agm034008154
data_agm034008154
_cell_length_a 8.90437
_cell_length_b 8.90438
_cell_length_c 3.76435
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 258.48026
_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 0.00000 0.76473 0.50000 1.00000
Pm2 Pm 0.23527 0.23527 0.50000 1.00000
Pm3 Pm 0.76473 0.00000 0.50000 1.00000
Nd1 Nd 0.40677 0.00000 0.00000 1.00000
Nd2 Nd 0.59323 0.59323 0.00000 1.00000
Nd3 Nd 0.00000 0.40677 0.00000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.66667 0.33333 0.50000 1.00000
Hg2 Hg 0.33333 0.66667 0.50000 1.00000
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