Fe(NiPt3)2
Alexandria ALEXAlex-ID: agm005671667 · Space group: P4_2/mnm (#136)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_659_spg136
Fe(NiPt3)2
2023-07-07 01:58:17.626537
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671667).
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 agm005671667
data_agm005671667
_cell_length_a 3.89903
_cell_length_b 8.14442
_cell_length_c 8.14441
_cell_angle_alpha 90.00001
_cell_angle_beta 89.99991
_cell_angle_gamma 89.99999
_cell_volume 258.62837
_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
Fe1 Fe 0.50000 0.50000 0.00000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
Ni1 Ni 0.00007 0.33193 0.83196 1.00000
Ni2 Ni 0.49993 0.83193 0.66804 1.00000
Ni3 Ni 0.50007 0.16807 0.33196 1.00000
Ni4 Ni 0.99993 0.66807 0.16804 1.00000
Pt1 Pt 0.99999 0.00374 0.17520 1.00000
Pt2 Pt 0.99996 0.67520 0.50372 1.00000
Pt3 Pt 0.99996 0.65571 0.84427 1.00000
Pt4 Pt 0.50004 0.15571 0.65573 1.00000
Pt5 Pt 0.50004 0.17520 0.99628 1.00000
Pt6 Pt 0.50001 0.50374 0.32480 1.00000
Pt7 Pt 0.00001 0.99626 0.82480 1.00000
Pt8 Pt 0.00004 0.32480 0.49628 1.00000
Pt9 Pt 0.00004 0.34429 0.15573 1.00000
Pt10 Pt 0.49996 0.84429 0.34427 1.00000
Pt11 Pt 0.49996 0.82480 0.00372 1.00000
Pt12 Pt 0.49999 0.49626 0.67520 1.00000
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