Nd2MgCl8
Alexandria ALEXAlex-ID: agm044950347 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_434_spg12
MgCl2 NdCl3
2025-03-01 08:26:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044950347).
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 agm044950347
data_agm044950347
_cell_length_a 10.77059
_cell_length_b 10.77059
_cell_length_c 8.14493
_cell_angle_alpha 77.78003
_cell_angle_beta 102.21997
_cell_angle_gamma 158.95915
_cell_volume 331.28095
_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 0.15338 0.84662 0.33044 1.00000
Nd2 Nd 0.84662 0.15338 0.66956 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Cl1 Cl 0.61065 0.38935 0.51269 1.00000
Cl2 Cl 0.37926 0.62074 0.94030 1.00000
Cl3 Cl 0.24670 0.75330 0.66709 1.00000
Cl4 Cl 0.01189 0.98811 0.20846 1.00000
Cl5 Cl 0.75330 0.24670 0.33291 1.00000
Cl6 Cl 0.62074 0.37926 0.05970 1.00000
Cl7 Cl 0.38935 0.61065 0.48731 1.00000
Cl8 Cl 0.98811 0.01189 0.79154 1.00000
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