FeCu2I7
Alexandria ALEXAlex-ID: agm002014366 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1865_spg1
FeCuI4 Cu3I4 I
2021-09-17 09:00:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002014366).
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 agm002014366
data_agm002014366
_cell_length_a 7.35779
_cell_length_b 7.94074
_cell_length_c 8.50114
_cell_angle_alpha 84.45943
_cell_angle_beta 67.89845
_cell_angle_gamma 108.31816
_cell_volume 423.64471
_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 0.71368 0.06969 0.13100 1.00000
I2 I 0.25156 0.53129 0.07697 1.00000
I3 I 0.88279 0.07664 0.56322 1.00000
I4 I 0.88127 0.52818 0.79375 1.00000
I5 I 0.30323 0.12728 0.82023 1.00000
I6 I 0.33902 0.58240 0.55488 1.00000
I7 I 0.74033 0.55097 0.36459 1.00000
Fe1 Fe 0.07672 0.32738 0.90835 1.00000
Cu1 Cu 0.91511 0.25777 0.28373 1.00000
Cu2 Cu 0.70439 0.30979 0.61434 1.00000
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