Nd6Zn2Hg
Alexandria ALEXAlex-ID: agm005703145 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_680_spg12
Nd2Zn Nd2Hg
2023-07-10 16:22:17.872544
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703145).
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 agm005703145
data_agm005703145
_cell_length_a 5.28486
_cell_length_b 6.86578
_cell_length_c 8.34649
_cell_angle_alpha 83.00111
_cell_angle_beta 71.54310
_cell_angle_gamma 67.36436
_cell_volume 265.14351
_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 0.97725 0.20659 0.83890 1.00000
Nd2 Nd 0.31616 0.20657 0.16112 1.00000
Nd3 Nd 0.68384 0.79343 0.83888 1.00000
Nd4 Nd 0.35037 0.79926 0.50001 1.00000
Nd5 Nd 0.64963 0.20074 0.49999 1.00000
Nd6 Nd 0.02275 0.79341 0.16110 1.00000
Zn1 Zn 0.33345 0.49999 0.83311 1.00000
Zn2 Zn 0.66655 0.50001 0.16689 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
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