Mg4Fe3(PdO6)2
Alexandria ALEXAlex-ID: agm009403554 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D12_6_spg15
Mg6PdO8 Mg2PdO4 Fe2O3 PdO
2024-12-31 15:05:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009403554).
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 agm009403554
data_agm009403554
_cell_length_a 6.03818
_cell_length_b 6.03818
_cell_length_c 13.49347
_cell_angle_alpha 77.22626
_cell_angle_beta 102.77374
_cell_angle_gamma 90.57166
_cell_volume 467.52423
_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 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.50000 0.50000 0.00000 1.00000
Mg3 Mg 0.50000 0.00000 0.00000 1.00000
Mg4 Mg 0.16999 0.33244 0.33464 1.00000
Mg5 Mg 0.83001 0.66756 0.66536 1.00000
Mg6 Mg 0.66756 0.83001 0.83464 1.00000
Mg7 Mg 0.33244 0.16999 0.16536 1.00000
Mg8 Mg 0.00000 0.50000 0.50000 1.00000
Fe1 Fe 0.02677 0.70353 0.07913 1.00000
Fe2 Fe 0.70353 0.02677 0.42087 1.00000
Fe3 Fe 0.36760 0.36760 0.75000 1.00000
Fe4 Fe 0.29647 0.97323 0.57913 1.00000
Fe5 Fe 0.97323 0.29647 0.92087 1.00000
Fe6 Fe 0.63240 0.63240 0.25000 1.00000
Pd1 Pd 0.17005 0.82863 0.83507 1.00000
Pd2 Pd 0.82995 0.17137 0.16493 1.00000
Pd3 Pd 0.17137 0.82995 0.33507 1.00000
Pd4 Pd 0.82863 0.17005 0.66493 1.00000
O1 O 0.59795 0.91797 0.67038 1.00000
O2 O 0.26583 0.24543 0.00476 1.00000
O3 O 0.93518 0.58215 0.33726 1.00000
O4 O 0.91797 0.59795 0.82962 1.00000
O5 O 0.58215 0.93518 0.16274 1.00000
O6 O 0.24543 0.26583 0.49524 1.00000
O7 O 0.91861 0.07689 0.82790 1.00000
O8 O 0.58277 0.41137 0.16451 1.00000
O9 O 0.25178 0.74404 0.49693 1.00000
O10 O 0.07689 0.91861 0.67210 1.00000
O11 O 0.74404 0.25178 0.00307 1.00000
O12 O 0.41137 0.58277 0.33549 1.00000
O13 O 0.73417 0.75457 0.99524 1.00000
O14 O 0.40205 0.08203 0.32962 1.00000
O15 O 0.06482 0.41785 0.66274 1.00000
O16 O 0.41785 0.06482 0.83726 1.00000
O17 O 0.08203 0.40205 0.17038 1.00000
O18 O 0.75457 0.73417 0.50476 1.00000
O19 O 0.41723 0.58863 0.83549 1.00000
O20 O 0.08139 0.92311 0.17210 1.00000
O21 O 0.74822 0.25596 0.50307 1.00000
O22 O 0.25596 0.74822 0.99693 1.00000
O23 O 0.92311 0.08139 0.32790 1.00000
O24 O 0.58863 0.41723 0.66451 1.00000
