Nd5(TlHg)2
Alexandria ALEXAlex-ID: agm003314701 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
Nd6Tl5Hg Nd5Tl3 NdHg
2022-01-20 09:18:07.472009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003314701).
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 agm003314701
data_agm003314701
_cell_length_a 7.56588
_cell_length_b 8.82685
_cell_length_c 9.54177
_cell_angle_alpha 117.55097
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 564.96470
_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 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.84141 0.82561 0.28002 1.00000
Nd4 Nd 0.15859 0.45441 0.28002 1.00000
Nd5 Nd 0.34141 0.95441 0.28002 1.00000
Nd6 Nd 0.65859 0.32561 0.28002 1.00000
Nd7 Nd 0.15859 0.17439 0.71998 1.00000
Nd8 Nd 0.84141 0.54559 0.71998 1.00000
Nd9 Nd 0.65859 0.04559 0.71998 1.00000
Nd10 Nd 0.34141 0.67439 0.71998 1.00000
Tl1 Tl 0.00000 0.20928 0.41857 1.00000
Tl2 Tl 0.50000 0.70928 0.41857 1.00000
Tl3 Tl 0.00000 0.79072 0.58143 1.00000
Tl4 Tl 0.50000 0.29072 0.58143 1.00000
Hg1 Hg 0.61928 0.86038 0.00000 1.00000
Hg2 Hg 0.38072 0.13962 0.00000 1.00000
Hg3 Hg 0.11928 0.63962 0.00000 1.00000
Hg4 Hg 0.88072 0.36038 0.00000 1.00000
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