Pm3NiAu2
Alexandria ALEXAlex-ID: agm003418679 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1315_spg12
PmNi PmAu
2022-02-13 18:27:52.526890
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418679).
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 agm003418679
data_agm003418679
_cell_length_a 5.96856
_cell_length_b 8.17946
_cell_length_c 7.47464
_cell_angle_alpha 105.82500
_cell_angle_beta 113.53155
_cell_angle_gamma 90.00000
_cell_volume 319.42184
_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 0.50101 0.25000 0.00000 1.00000
Pm2 Pm 0.49899 0.75000 1.00000 1.00000
Pm3 Pm 0.14532 0.07380 0.29406 1.00000
Pm4 Pm 0.85126 0.42620 0.70594 1.00000
Pm5 Pm 0.14874 0.57380 0.29406 1.00000
Pm6 Pm 0.85468 0.92620 0.70594 1.00000
Ni1 Ni 0.99930 0.75000 0.00000 1.00000
Ni2 Ni 0.00070 0.25000 1.00000 1.00000
Au1 Au 0.67659 0.58737 0.34982 1.00000
Au2 Au 0.67323 0.08737 0.34982 1.00000
Au3 Au 0.32677 0.91263 0.65018 1.00000
Au4 Au 0.32341 0.41263 0.65018 1.00000
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