Mg2(NpPd)3
Alexandria ALEXAlex-ID: agm009672033 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_200_spg2
NpPd3 Np MgPd
2024-03-28 20:53:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009672033).
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 agm009672033
data_agm009672033
_cell_length_a 13.76942
_cell_length_b 4.49576
_cell_length_c 5.00954
_cell_angle_alpha 90.00050
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 310.11080
_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
Mg1 Mg 0.88650 0.25894 0.75005 1.00000
Mg2 Mg 0.38650 0.74106 0.24995 1.00000
Mg3 Mg 0.61350 0.25894 0.75005 1.00000
Mg4 Mg 0.11350 0.74106 0.24995 1.00000
Np1 Np 0.36717 0.26670 0.74985 1.00000
Np2 Np 0.86717 0.73330 0.25015 1.00000
Np3 Np 0.13283 0.26670 0.74985 1.00000
Np4 Np 0.63283 0.73330 0.25015 1.00000
Np5 Np 0.25000 0.68657 0.74998 1.00000
Np6 Np 0.75000 0.31343 0.25002 1.00000
Pd1 Pd 0.48865 0.77497 0.75002 1.00000
Pd2 Pd 0.98865 0.22503 0.24998 1.00000
Pd3 Pd 0.01135 0.77497 0.75002 1.00000
Pd4 Pd 0.51135 0.22503 0.24998 1.00000
Pd5 Pd 0.25000 0.21925 0.24983 1.00000
Pd6 Pd 0.75000 0.78075 0.75017 1.00000
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