Pm6Nd3Mg
Alexandria ALEXAlex-ID: agm005991592 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1133_spg55
PmNdMg2 Pm2Nd Pm
2023-09-18 03:13:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991592).
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 agm005991592
data_agm005991592
_cell_length_a 3.67128
_cell_length_b 6.23340
_cell_length_c 29.71294
_cell_angle_alpha 93.55861
_cell_angle_beta 97.11677
_cell_angle_gamma 89.95506
_cell_volume 673.41129
_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 0.40476 0.82784 0.90469 1.00000
Pm2 Pm 0.60091 0.89916 0.60083 1.00000
Pm3 Pm 0.19791 0.36842 0.19712 1.00000
Pm4 Pm 0.80209 0.63158 0.80288 1.00000
Pm5 Pm 0.39909 0.10084 0.39917 1.00000
Pm6 Pm 0.59524 0.17216 0.09531 1.00000
Pm7 Pm 0.90298 0.60574 0.40413 1.00000
Pm8 Pm 0.09991 0.67024 0.10017 1.00000
Pm9 Pm 0.69986 0.26073 0.69784 1.00000
Pm10 Pm 0.30014 0.73927 0.30216 1.00000
Pm11 Pm 0.90009 0.32976 0.89983 1.00000
Pm12 Pm 0.09702 0.39426 0.59587 1.00000
Nd1 Nd 0.30011 0.12960 0.80054 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.69989 0.87040 0.19946 1.00000
Nd4 Nd 0.79900 0.23964 0.30002 1.00000
Nd5 Nd 0.00000 0.00000 0.50000 1.00000
Nd6 Nd 0.20100 0.76036 0.69998 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
