Nd4HgBr5
Alexandria ALEXAlex-ID: agm003658366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_9_spg12
Nd2Hg NdHg NdBr2
2022-04-06 05:07:09.820133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003658366).
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 agm003658366
data_agm003658366
_cell_length_a 4.13476
_cell_length_b 9.02384
_cell_length_c 9.56064
_cell_angle_alpha 101.53348
_cell_angle_beta 102.48819
_cell_angle_gamma 90.00000
_cell_volume 340.89973
_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 0.66411 0.07311 0.32821 1.00000
Nd2 Nd 0.00338 0.24288 0.00676 1.00000
Nd3 Nd 0.33589 0.92689 0.67179 1.00000
Nd4 Nd 0.99662 0.75712 0.99324 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Br1 Br 0.16843 0.32039 0.33686 1.00000
Br2 Br 0.16810 0.82368 0.33619 1.00000
Br3 Br 0.83190 0.17632 0.66381 1.00000
Br4 Br 0.50000 0.50000 0.00000 1.00000
Br5 Br 0.83157 0.67961 0.66314 1.00000
Get direct link