Fe2CuI7
Alexandria ALEXAlex-ID: agm003154673 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1866_spg1
FeCuI4 I FeI2
2021-09-27 04:37:18.807012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003154673).
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 agm003154673
data_agm003154673
_cell_length_a 7.69552
_cell_length_b 7.71312
_cell_length_c 8.39239
_cell_angle_alpha 84.69576
_cell_angle_beta 61.07500
_cell_angle_gamma 82.85737
_cell_volume 432.31818
_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
I1 I 0.22574 0.17651 0.42955 1.00000
I2 I 0.08933 0.48925 0.05749 1.00000
I3 I 0.70033 0.07064 0.44063 1.00000
I4 I 0.64495 0.82779 0.04128 1.00000
I5 I 0.62164 0.60803 0.52383 1.00000
I6 I 0.14513 0.69797 0.49917 1.00000
I7 I 0.16346 0.96149 0.98186 1.00000
Fe1 Fe 0.44823 0.86989 0.39636 1.00000
Fe2 Fe 0.85500 0.78186 0.21586 1.00000
Cu1 Cu 0.06868 0.19034 0.22152 1.00000
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