PmNd4Mg5
Alexandria ALEXAlex-ID: agm062323391 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_70_spg2
PmNd2Mg3 PmNd5Mg6
2024-10-15 22:13:20.735972
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062323391).
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
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# CIF generated by HEAS from Alexandria entry agm062323391
data_agm062323391
_cell_length_a 8.68776
_cell_length_b 8.68776
_cell_length_c 6.72631
_cell_angle_alpha 75.02207
_cell_angle_beta 75.02207
_cell_angle_gamma 36.83445
_cell_volume 292.84868
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.59989 0.59989 0.60077 1.00000
Nd2 Nd 0.19960 0.19960 0.20021 1.00000
Nd3 Nd 0.80040 0.80040 0.79979 1.00000
Nd4 Nd 0.40011 0.40011 0.39923 1.00000
Mg1 Mg 0.19971 0.19971 0.70124 1.00000
Mg2 Mg 0.80029 0.80029 0.29876 1.00000
Mg3 Mg 0.40009 0.40009 0.90100 1.00000
Mg4 Mg 0.00000 0.00000 0.50000 1.00000
Mg5 Mg 0.59991 0.59991 0.09900 1.00000
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