Nd3(HoHg)4
Alexandria ALEXAlex-ID: agm003379969 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_73_spg71
Nd2Hg Ho2Hg NdHg
2022-02-09 04:49:06.173728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003379969).
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 agm003379969
data_agm003379969
_cell_length_a 4.94450
_cell_length_b 7.92179
_cell_length_c 9.48836
_cell_angle_alpha 114.67355
_cell_angle_beta 105.10305
_cell_angle_gamma 90.00000
_cell_volume 323.54007
_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
Nd1 Nd 0.11044 0.11044 0.22089 1.00000
Nd2 Nd 0.88956 0.88956 0.77911 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Ho1 Ho 0.32601 0.11347 0.65202 1.00000
Ho2 Ho 0.67399 0.46145 0.34798 1.00000
Ho3 Ho 0.67399 0.88653 0.34798 1.00000
Ho4 Ho 0.32601 0.53855 0.65202 1.00000
Hg1 Hg 0.21117 0.71117 0.42234 1.00000
Hg2 Hg 0.78883 0.28883 0.57766 1.00000
Hg3 Hg 0.50000 0.80474 1.00000 1.00000
Hg4 Hg 0.50000 0.19526 0.00000 1.00000
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