Nd4Mg5Sn6
Alexandria ALEXAlex-ID: agm005712972 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C6_3_spg36
NdMgSn2 Nd4Mg7Sn6 NdMgSn
2023-06-30 05:45:29.365142
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005712972).
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 agm005712972
data_agm005712972
_cell_length_a 4.73537
_cell_length_b 10.73734
_cell_length_c 16.77249
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.73896
_cell_volume 831.80954
_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 0.96610 0.93219 0.26586 1.00000
Nd2 Nd 0.03390 0.06781 0.76586 1.00000
Nd3 Nd 0.16293 0.32586 0.30273 1.00000
Nd4 Nd 0.83707 0.67414 0.80273 1.00000
Nd5 Nd 0.82567 0.65133 0.44341 1.00000
Nd6 Nd 0.17433 0.34867 0.94341 1.00000
Nd7 Nd 0.01762 0.03523 0.50112 1.00000
Nd8 Nd 0.98238 0.96477 0.00112 1.00000
Mg1 Mg 0.44009 0.88018 0.68007 1.00000
Mg2 Mg 0.55991 0.11982 0.18007 1.00000
Mg3 Mg 0.15515 0.31030 0.62653 1.00000
Mg4 Mg 0.84485 0.68970 0.12653 1.00000
Mg5 Mg 0.65160 0.30320 0.48275 1.00000
Mg6 Mg 0.34840 0.69680 0.98275 1.00000
Mg7 Mg 0.30429 0.60857 0.62027 1.00000
Mg8 Mg 0.69571 0.39143 0.12027 1.00000
Mg9 Mg 0.34093 0.68186 0.27279 1.00000
Mg10 Mg 0.65907 0.31814 0.77279 1.00000
Sn1 Sn 0.76533 0.53066 0.26854 1.00000
Sn2 Sn 0.42926 0.85851 0.41191 1.00000
Sn3 Sn 0.77329 0.54658 0.97820 1.00000
Sn4 Sn 0.22671 0.45342 0.47820 1.00000
Sn5 Sn 0.44099 0.88198 0.85392 1.00000
Sn6 Sn 0.55901 0.11802 0.35392 1.00000
Sn7 Sn 0.42948 0.85895 0.12975 1.00000
Sn8 Sn 0.57052 0.14105 0.62975 1.00000
Sn9 Sn 0.11047 0.22094 0.11763 1.00000
Sn10 Sn 0.88953 0.77906 0.61763 1.00000
Sn11 Sn 0.57074 0.14149 0.91191 1.00000
Sn12 Sn 0.23467 0.46934 0.76854 1.00000
