ZnFe4C
Alexandria ALEXAlex-ID: agm005759020 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1161_spg15
Zn9Fe4 Fe C
2023-07-27 11:15:27.955899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759020).
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 agm005759020
data_agm005759020
_cell_length_a 5.10761
_cell_length_b 4.62250
_cell_length_c 6.26766
_cell_angle_alpha 111.64038
_cell_angle_beta 105.90953
_cell_angle_gamma 89.99970
_cell_volume 131.43181
_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
Zn1 Zn 0.75001 0.08696 0.00001 1.00000
Zn2 Zn 0.24999 0.91304 0.99999 1.00000
Fe1 Fe 0.04757 0.32573 0.81210 1.00000
Fe2 Fe 0.45241 0.51361 0.18788 1.00000
Fe3 Fe 0.95243 0.67427 0.18790 1.00000
Fe4 Fe 0.54759 0.48639 0.81212 1.00000
Fe5 Fe 0.86229 0.70377 0.59899 1.00000
Fe6 Fe 0.63770 0.10475 0.40098 1.00000
Fe7 Fe 0.13771 0.29623 0.40101 1.00000
Fe8 Fe 0.36230 0.89525 0.59902 1.00000
C1 C 0.00000 0.00000 0.50000 1.00000
C2 C 0.50000 0.50000 0.50000 1.00000
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