Li7Nd3Hg4
Alexandria ALEXAlex-ID: agm005702991 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
LiNdHg Li3Hg Nd
2023-06-29 16:53:41.576915
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702991).
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 agm005702991
data_agm005702991
_cell_length_a 4.90825
_cell_length_b 8.54498
_cell_length_c 8.63821
_cell_angle_alpha 65.21036
_cell_angle_beta 73.49486
_cell_angle_gamma 73.30954
_cell_volume 309.42205
_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
Li1 Li 0.34058 0.80890 0.50993 1.00000
Li2 Li 0.50473 0.16769 0.82286 1.00000
Li3 Li 0.85791 0.34473 0.93944 1.00000
Li4 Li 0.65942 0.19110 0.49007 1.00000
Li5 Li 0.14209 0.65527 0.06056 1.00000
Li6 Li 0.00000 0.00000 0.00000 1.00000
Li7 Li 0.49527 0.83231 0.17714 1.00000
Nd1 Nd 0.27699 0.22164 0.22439 1.00000
Nd2 Nd 0.72301 0.77836 0.77561 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Hg1 Hg 0.65057 0.49619 0.20267 1.00000
Hg2 Hg 0.34943 0.50381 0.79733 1.00000
Hg3 Hg 0.86566 0.93196 0.33671 1.00000
Hg4 Hg 0.13434 0.06804 0.66329 1.00000
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