Nd3Sb2S
Alexandria ALEXAlex-ID: agm032204142 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1839_spg74
NdSb NdS
2025-04-14 09:04:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032204142).
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 agm032204142
data_agm032204142
_cell_length_a 7.60529
_cell_length_b 7.60529
_cell_length_c 7.58277
_cell_angle_alpha 80.47122
_cell_angle_beta 99.52878
_cell_angle_gamma 60.04674
_cell_volume 358.60764
_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 0.65319 0.18963 0.99623 1.00000
Nd2 Nd 0.81037 0.34681 0.49623 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Nd4 Nd 0.34681 0.81037 0.00377 1.00000
Nd5 Nd 0.50000 0.00000 0.50000 1.00000
Nd6 Nd 0.18963 0.65319 0.50377 1.00000
Sb1 Sb 0.91780 0.91780 0.75000 1.00000
Sb2 Sb 0.24454 0.24454 0.75000 1.00000
Sb3 Sb 0.08220 0.08220 0.25000 1.00000
Sb4 Sb 0.75546 0.75546 0.25000 1.00000
S1 S 0.58579 0.58579 0.75000 1.00000
S2 S 0.41421 0.41421 0.25000 1.00000
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