Nd(MnSn)6
Alexandria ALEXAlex-ID: agm003245992 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_11_spg71
Nd2Sn5 MnSn Mn
2022-01-01 10:56:37.660820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003245992).
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 agm003245992
data_agm003245992
_cell_length_a 5.48344
_cell_length_b 9.02889
_cell_length_c 15.16729
_cell_angle_alpha 107.31160
_cell_angle_beta 100.41651
_cell_angle_gamma 89.99577
_cell_volume 703.93679
_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 0.32989 0.82958 0.66122 1.00000
Nd2 Nd 0.66922 0.16866 0.33942 1.00000
Nd3 Nd 0.99965 0.99923 0.00033 1.00000
Mn1 Mn 0.16649 0.41456 0.33376 1.00000
Mn2 Mn 0.33230 0.83357 0.16685 1.00000
Mn3 Mn 0.66702 0.66705 0.83380 1.00000
Mn4 Mn 0.49960 0.75080 0.00032 1.00000
Mn5 Mn 0.16584 0.16475 0.83377 1.00000
Mn6 Mn 0.83345 0.33124 0.16681 1.00000
Mn7 Mn 0.83285 0.08107 0.66683 1.00000
Mn8 Mn 0.16590 0.66706 0.83379 1.00000
Mn9 Mn 0.49957 0.99904 0.50035 1.00000
Mn10 Mn 0.49974 0.24757 0.00032 1.00000
Mn11 Mn 0.99957 0.99904 0.50035 1.00000
Mn12 Mn 0.99957 0.49903 0.50031 1.00000
Mn13 Mn 0.83349 0.83358 0.16684 1.00000
Mn14 Mn 0.83278 0.58363 0.66684 1.00000
Mn15 Mn 0.33228 0.33124 0.16680 1.00000
Mn16 Mn 0.16640 0.91710 0.33379 1.00000
Mn17 Mn 0.66707 0.16478 0.83377 1.00000
Mn18 Mn 0.49955 0.49903 0.50032 1.00000
Sn1 Sn 0.99973 0.33502 0.00032 1.00000
Sn2 Sn 0.88757 0.88708 0.77617 1.00000
Sn3 Sn 0.11164 0.11122 0.22447 1.00000
Sn4 Sn 0.22458 0.22401 0.45024 1.00000
Sn5 Sn 0.44429 0.44385 0.88965 1.00000
Sn6 Sn 0.10937 0.60882 0.21972 1.00000
Sn7 Sn 0.78092 0.28031 0.56283 1.00000
Sn8 Sn 0.88992 0.38947 0.78091 1.00000
Sn9 Sn 0.21814 0.71782 0.43781 1.00000
Sn10 Sn 0.33367 0.49771 0.66839 1.00000
Sn11 Sn 0.55600 0.05554 0.11309 1.00000
Sn12 Sn 0.66553 0.50052 0.33223 1.00000
Sn13 Sn 0.44329 0.94282 0.88755 1.00000
Sn14 Sn 0.33370 0.16862 0.66839 1.00000
Sn15 Sn 0.77447 0.77405 0.55040 1.00000
Sn16 Sn 0.66547 0.82964 0.33227 1.00000
Sn17 Sn 0.55509 0.55452 0.11103 1.00000
Sn18 Sn 0.99965 0.66341 0.00031 1.00000
