Nd2GeCl
Alexandria ALEXAlex-ID: agm005663397 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_56_spg141
Nd4Ge3 Nd3GeCl3 Nd
2023-07-11 22:01:37.505447
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663397).
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 agm005663397
data_agm005663397
_cell_length_a 5.93371
_cell_length_b 5.93371
_cell_length_c 7.37754
_cell_angle_alpha 66.26889
_cell_angle_beta 66.26887
_cell_angle_gamma 89.99104
_cell_volume 213.58867
_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 0.13318 0.88298 0.73359 1.00000
Nd2 Nd 0.86682 0.11702 0.26641 1.00000
Nd3 Nd 0.61702 0.36682 0.76641 1.00000
Nd4 Nd 0.38298 0.63318 0.23359 1.00000
Ge1 Ge 0.62492 0.87508 0.75000 1.00000
Ge2 Ge 0.37508 0.12492 0.25000 1.00000
Cl1 Cl 0.12525 0.37475 0.75000 1.00000
Cl2 Cl 0.87475 0.62525 0.25000 1.00000
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