NdMn(CdS2)3
Alexandria ALEXAlex-ID: agm070956480 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6_57_spg198
Mn2S3 Nd2S3 CdS
2024-08-07 08:12:17.098967
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070956480).
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 agm070956480
data_agm070956480
_cell_length_a 10.92461
_cell_length_b 10.92461
_cell_length_c 10.92461
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1303.82190
_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 0.12500 0.12500 0.12500 1.00000
Nd2 Nd 0.37500 0.87500 0.62500 1.00000
Nd3 Nd 0.87500 0.62500 0.37500 1.00000
Nd4 Nd 0.62500 0.37500 0.87500 1.00000
Mn1 Mn 0.62500 0.62500 0.62500 1.00000
Mn2 Mn 0.87500 0.37500 0.12500 1.00000
Mn3 Mn 0.37500 0.12500 0.87500 1.00000
Mn4 Mn 0.12500 0.87500 0.37500 1.00000
Cd1 Cd 0.62500 0.15199 0.09801 1.00000
Cd2 Cd 0.87500 0.84801 0.59801 1.00000
Cd3 Cd 0.37500 0.65199 0.40199 1.00000
Cd4 Cd 0.12500 0.34801 0.90199 1.00000
Cd5 Cd 0.09801 0.62500 0.15199 1.00000
Cd6 Cd 0.59801 0.87500 0.84801 1.00000
Cd7 Cd 0.40199 0.37500 0.65199 1.00000
Cd8 Cd 0.90199 0.12500 0.34801 1.00000
Cd9 Cd 0.15199 0.09801 0.62500 1.00000
Cd10 Cd 0.84801 0.59801 0.87500 1.00000
Cd11 Cd 0.65199 0.40199 0.37500 1.00000
Cd12 Cd 0.34801 0.90199 0.12500 1.00000
S1 S 0.61486 0.63137 0.39360 1.00000
S2 S 0.88514 0.36863 0.89360 1.00000
S3 S 0.38514 0.13137 0.10640 1.00000
S4 S 0.11486 0.86863 0.60640 1.00000
S5 S 0.39360 0.61486 0.63137 1.00000
S6 S 0.89360 0.88514 0.36863 1.00000
S7 S 0.10640 0.38514 0.13137 1.00000
S8 S 0.60640 0.11486 0.86863 1.00000
S9 S 0.63137 0.39360 0.61486 1.00000
S10 S 0.36863 0.89360 0.88514 1.00000
S11 S 0.13137 0.10640 0.38514 1.00000
S12 S 0.86863 0.60640 0.11486 1.00000
S13 S 0.88137 0.36486 0.35640 1.00000
S14 S 0.61863 0.63514 0.85640 1.00000
S15 S 0.38137 0.13514 0.64360 1.00000
S16 S 0.11863 0.86486 0.14360 1.00000
S17 S 0.86486 0.14360 0.11863 1.00000
S18 S 0.13514 0.64360 0.38137 1.00000
S19 S 0.63514 0.85640 0.61863 1.00000
S20 S 0.36486 0.35640 0.88137 1.00000
S21 S 0.64360 0.38137 0.13514 1.00000
S22 S 0.14360 0.11863 0.86486 1.00000
S23 S 0.35640 0.88137 0.36486 1.00000
S24 S 0.85640 0.61863 0.63514 1.00000
