NdMg6
Alexandria ALEXAlex-ID: agm005547552 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_31_spg62
Nd5Mg41 NdMg3
2023-05-29 09:01:42.888546
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005547552).
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 agm005547552
data_agm005547552
_cell_length_a 5.93022
_cell_length_b 9.65274
_cell_length_c 12.23879
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 700.58345
_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 0.75000 0.24512 0.93826 1.00000
Nd2 Nd 0.25000 0.75488 0.06174 1.00000
Nd3 Nd 0.75000 0.74512 0.56174 1.00000
Nd4 Nd 0.25000 0.25488 0.43826 1.00000
Mg1 Mg 0.75000 0.59227 0.01807 1.00000
Mg2 Mg 0.25000 0.40773 0.98193 1.00000
Mg3 Mg 0.75000 0.09227 0.48193 1.00000
Mg4 Mg 0.25000 0.90773 0.51807 1.00000
Mg5 Mg 0.00990 0.43824 0.19380 1.00000
Mg6 Mg 0.50990 0.56176 0.80620 1.00000
Mg7 Mg 0.49010 0.93824 0.30620 1.00000
Mg8 Mg 0.99010 0.06176 0.69380 1.00000
Mg9 Mg 0.99010 0.56176 0.80620 1.00000
Mg10 Mg 0.49010 0.43824 0.19380 1.00000
Mg11 Mg 0.50990 0.06176 0.69380 1.00000
Mg12 Mg 0.00990 0.93824 0.30620 1.00000
Mg13 Mg 0.25000 0.14551 0.14944 1.00000
Mg14 Mg 0.75000 0.85449 0.85056 1.00000
Mg15 Mg 0.25000 0.64551 0.35056 1.00000
Mg16 Mg 0.75000 0.35449 0.64944 1.00000
Mg17 Mg 0.25000 0.80601 0.75114 1.00000
Mg18 Mg 0.75000 0.19399 0.24886 1.00000
Mg19 Mg 0.25000 0.30601 0.74886 1.00000
Mg20 Mg 0.75000 0.69399 0.25114 1.00000
Mg21 Mg 0.25000 0.55358 0.58473 1.00000
Mg22 Mg 0.75000 0.44642 0.41527 1.00000
Mg23 Mg 0.25000 0.05358 0.91527 1.00000
Mg24 Mg 0.75000 0.94642 0.08473 1.00000
