Pm(Cu3Ni)2
Alexandria ALEXAlex-ID: agm097233133 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_698_spg123
Pm2(CuNi)5 PmCu4Ni Cu
2025-04-07 02:47:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097233133).
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 agm097233133
data_agm097233133
_cell_length_a 4.03574
_cell_length_b 5.04264
_cell_length_c 6.33917
_cell_angle_alpha 83.33495
_cell_angle_beta 89.99088
_cell_angle_gamma 89.98583
_cell_volume 128.13520
_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 0.44391 0.66891 0.09205 1.00000
Cu1 Cu 0.44481 0.21148 0.82279 1.00000
Cu2 Cu 0.44470 0.67236 0.58426 1.00000
Cu3 Cu 0.94463 0.36208 0.41782 1.00000
Cu4 Cu 0.94483 0.48817 0.76978 1.00000
Cu5 Cu 0.44450 0.11937 0.34645 1.00000
Cu6 Cu 0.94503 0.97242 0.74081 1.00000
Ni1 Ni 0.94343 0.16036 0.08295 1.00000
Ni2 Ni 0.94416 0.84485 0.39308 1.00000
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