Nd3Mg7Cu4
Alexandria ALEXAlex-ID: agm005698741 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_55_spg12
NdMgCu4 NdMg2Cu Mg2Cu
2023-06-29 17:01:06.735334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698741).
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 agm005698741
data_agm005698741
_cell_length_a 4.38549
_cell_length_b 8.43334
_cell_length_c 9.25261
_cell_angle_alpha 71.23819
_cell_angle_beta 76.29123
_cell_angle_gamma 74.92937
_cell_volume 308.44153
_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 0.30684 0.17892 0.20739 1.00000
Nd2 Nd 0.69316 0.82108 0.79261 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.32158 0.84132 0.51551 1.00000
Mg2 Mg 0.48800 0.22982 0.79417 1.00000
Mg3 Mg 0.83347 0.40266 0.93039 1.00000
Mg4 Mg 0.67842 0.15868 0.48449 1.00000
Mg5 Mg 0.16653 0.59734 0.06961 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.51200 0.77018 0.20583 1.00000
Cu1 Cu 0.66469 0.43571 0.23491 1.00000
Cu2 Cu 0.33531 0.56429 0.76509 1.00000
Cu3 Cu 0.88589 0.90252 0.32571 1.00000
Cu4 Cu 0.11411 0.09748 0.67429 1.00000
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