Nd2GeI3
Alexandria ALEXAlex-ID: agm003428232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1067_spg12
Nd2GeI2 Nd3Ge5 NdI3
2022-02-13 07:05:18.513633
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428232).
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 agm003428232
data_agm003428232
_cell_length_a 4.77493
_cell_length_b 9.97867
_cell_length_c 10.89016
_cell_angle_alpha 73.74103
_cell_angle_beta 77.33609
_cell_angle_gamma 76.15731
_cell_volume 477.17347
_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 0.86696 0.48152 0.78455 1.00000
Nd2 Nd 0.13304 0.51848 0.21545 1.00000
Nd3 Nd 0.60632 0.21921 0.56815 1.00000
Nd4 Nd 0.39368 0.78079 0.43185 1.00000
Ge1 Ge 0.44144 0.49735 0.61978 1.00000
Ge2 Ge 0.55856 0.50265 0.38022 1.00000
I1 I 0.04171 0.13924 0.77735 1.00000
I2 I 0.95829 0.86076 0.22265 1.00000
I3 I 0.66425 0.67124 0.00027 1.00000
I4 I 0.33575 0.32876 0.99973 1.00000
I5 I 0.76700 0.84432 0.62168 1.00000
I6 I 0.23300 0.15568 0.37832 1.00000
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