FeP6Pd
Alexandria ALEXAlex-ID: agm005803715 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_89_spg12
FeP4 P2Pd
2023-07-25 01:34:30.635311
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803715).
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 agm005803715
data_agm005803715
_cell_length_a 6.90778
_cell_length_b 6.90778
_cell_length_c 6.84350
_cell_angle_alpha 109.39941
_cell_angle_beta 109.36357
_cell_angle_gamma 110.02703
_cell_volume 250.19961
_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 0.00000 0.50000 0.00000 1.00000
Fe2 Fe 0.50000 0.00000 0.00000 1.00000
P1 P 0.14725 0.65790 0.80516 1.00000
P2 P 0.85275 0.34210 0.19484 1.00000
P3 P 0.86350 0.63620 0.49971 1.00000
P4 P 0.13650 0.36380 0.50029 1.00000
P5 P 0.78898 0.15604 0.66002 1.00000
P6 P 0.21102 0.84396 0.33998 1.00000
P7 P 0.50398 0.87105 0.66002 1.00000
P8 P 0.49602 0.12895 0.33998 1.00000
P9 P 0.63235 0.78891 0.12695 1.00000
P10 P 0.36765 0.21109 0.87305 1.00000
P11 P 0.66196 0.50540 0.87305 1.00000
P12 P 0.33804 0.49460 0.12695 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pd2 Pd 0.50000 0.50000 0.50000 1.00000
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