Nd7SnGe5
Alexandria ALEXAlex-ID: agm003679005 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_33_spg44
Nd4Ge3 NdSn NdGe
2022-04-10 06:50:10.427814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679005).
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 agm003679005
data_agm003679005
_cell_length_a 6.19513
_cell_length_b 8.23811
_cell_length_c 8.23811
_cell_angle_alpha 86.85163
_cell_angle_beta 67.91359
_cell_angle_gamma 67.91359
_cell_volume 359.16484
_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 0.64546 0.35454 0.35454 1.00000
Nd2 Nd 0.25994 0.74006 0.74006 1.00000
Nd3 Nd 0.98363 0.33231 0.70043 1.00000
Nd4 Nd 0.98363 0.70043 0.33231 1.00000
Nd5 Nd 0.28737 0.21263 0.21263 1.00000
Nd6 Nd 0.54450 0.79274 0.11826 1.00000
Nd7 Nd 0.54450 0.11826 0.79274 1.00000
Sn1 Sn 0.95587 0.04413 0.04413 1.00000
Ge1 Ge 0.46593 0.00664 0.48501 1.00000
Ge2 Ge 0.04242 0.00664 0.48501 1.00000
Ge3 Ge 0.46593 0.48501 0.00664 1.00000
Ge4 Ge 0.04242 0.48501 0.00664 1.00000
Ge5 Ge 0.77842 0.72158 0.72158 1.00000
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