MgFe5NiPtO12
Alexandria ALEXAlex-ID: agm010446478 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5E12_0_spg1
Mg2PtO4 MgNiPtO4 PtO4 Mg3Ni4(PtO6)2 Fe2O3
2025-02-05 21:02:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010446478).
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 agm010446478
data_agm010446478
_cell_length_a 5.07004
_cell_length_b 5.42812
_cell_length_c 8.98488
_cell_angle_alpha 69.88467
_cell_angle_beta 73.78920
_cell_angle_gamma 62.06876
_cell_volume 203.05194
_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 0.53612 0.10121 0.82876 1.00000
Fe1 Fe 0.72407 0.11929 0.42077 1.00000
Fe2 Fe 0.23110 0.61387 0.92875 1.00000
Fe3 Fe 0.76025 0.39045 0.07997 1.00000
Fe4 Fe 0.28240 0.87004 0.57313 1.00000
Fe5 Fe 0.46013 0.89211 0.17979 1.00000
Ni1 Ni 0.02952 0.62522 0.31601 1.00000
Pt1 Pt 0.98202 0.36648 0.67202 1.00000
O1 O 0.52871 0.53187 0.71975 1.00000
O2 O 0.01832 0.04449 0.22386 1.00000
O3 O 0.01734 0.73041 0.52682 1.00000
O4 O 0.52600 0.22938 0.03046 1.00000
O5 O 0.06005 0.37994 0.88024 1.00000
O6 O 0.57073 0.88091 0.37574 1.00000
O7 O 0.99072 0.96370 0.77645 1.00000
O8 O 0.48583 0.46732 0.27853 1.00000
O9 O 0.46314 0.76203 0.98151 1.00000
O10 O 0.97989 0.26643 0.47054 1.00000
O11 O 0.43575 0.13399 0.62052 1.00000
O12 O 0.91792 0.63085 0.11639 1.00000
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