Nd6Ge3SbS2
Alexandria ALEXAlex-ID: agm004595052 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Nd2GeS NdGe NdSb
2022-06-29 21:47:33.689790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004595052).
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 agm004595052
data_agm004595052
_cell_length_a 4.23220
_cell_length_b 8.63700
_cell_length_c 9.57062
_cell_angle_alpha 103.48006
_cell_angle_beta 102.77388
_cell_angle_gamma 90.00000
_cell_volume 331.29227
_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 0.32779 0.91046 0.65559 1.00000
Nd2 Nd 0.66771 0.58132 0.33542 1.00000
Nd3 Nd 0.67221 0.08954 0.34441 1.00000
Nd4 Nd 0.00349 0.26288 0.00697 1.00000
Nd5 Nd 0.99651 0.73712 0.99303 1.00000
Nd6 Nd 0.33229 0.41868 0.66458 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Ge2 Ge 0.83487 0.16944 0.66974 1.00000
Ge3 Ge 0.16513 0.83056 0.33026 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
S1 S 0.83099 0.66293 0.66198 1.00000
S2 S 0.16901 0.33707 0.33802 1.00000
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