Pr6ZnFe13
Alexandria ALEXAlex-ID: agm005269296 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C13_1_spg140
Pr2Zn Pr Fe
2024-10-04 10:04:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005269296).
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 agm005269296
data_agm005269296
_cell_length_a 8.05620
_cell_length_b 8.05620
_cell_length_c 12.92760
_cell_angle_alpha 108.15503
_cell_angle_beta 108.15503
_cell_angle_gamma 90.00000
_cell_volume 753.18028
_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
Pr1 Pr 0.97761 0.47761 0.62669 1.00000
Pr2 Pr 0.64908 0.14908 0.62669 1.00000
Pr3 Pr 0.14908 0.97761 0.62669 1.00000
Pr4 Pr 0.47761 0.64908 0.62669 1.00000
Pr5 Pr 0.02239 0.52239 0.37331 1.00000
Pr6 Pr 0.35092 0.85092 0.37331 1.00000
Pr7 Pr 0.85092 0.02239 0.37331 1.00000
Pr8 Pr 0.52239 0.35092 0.37331 1.00000
Pr9 Pr 0.60708 0.60708 0.21417 1.00000
Pr10 Pr 0.10708 0.10708 0.21417 1.00000
Pr11 Pr 0.39292 0.39292 0.78583 1.00000
Pr12 Pr 0.89292 0.89292 0.78583 1.00000
Zn1 Zn 0.25000 0.25000 0.50000 1.00000
Zn2 Zn 0.75000 0.75000 0.50000 1.00000
Fe1 Fe 0.12006 0.62006 0.88221 1.00000
Fe2 Fe 0.76216 0.26216 0.88221 1.00000
Fe3 Fe 0.26216 0.12006 0.88221 1.00000
Fe4 Fe 0.62006 0.76216 0.88221 1.00000
Fe5 Fe 0.87994 0.37994 0.11779 1.00000
Fe6 Fe 0.23784 0.73784 0.11779 1.00000
Fe7 Fe 0.73784 0.87994 0.11779 1.00000
Fe8 Fe 0.37994 0.23784 0.11779 1.00000
Fe9 Fe 0.70981 0.56630 1.00000 1.00000
Fe10 Fe 0.29019 0.43370 0.00000 1.00000
Fe11 Fe 0.79019 0.06630 0.00000 1.00000
Fe12 Fe 0.20981 0.93370 1.00000 1.00000
Fe13 Fe 0.56630 0.29019 0.00000 1.00000
Fe14 Fe 0.43370 0.70981 1.00000 1.00000
Fe15 Fe 0.06630 0.20981 1.00000 1.00000
Fe16 Fe 0.93370 0.79019 0.00000 1.00000
Fe17 Fe 0.29272 0.79272 0.81162 1.00000
Fe18 Fe 0.51890 0.01890 0.81162 1.00000
Fe19 Fe 0.01890 0.29272 0.81162 1.00000
Fe20 Fe 0.79272 0.51890 0.81162 1.00000
Fe21 Fe 0.70728 0.20728 0.18838 1.00000
Fe22 Fe 0.48110 0.98110 0.18838 1.00000
Fe23 Fe 0.98110 0.70728 0.18838 1.00000
Fe24 Fe 0.20728 0.48110 0.18838 1.00000
Fe25 Fe 0.00000 0.50000 0.00000 1.00000
Fe26 Fe 0.50000 0.00000 0.00000 1.00000
