Ac6CdFe2
Alexandria ALEXAlex-ID: agm005808301 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Ac AcCd Fe
2023-07-07 03:07:55.393104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808301).
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 agm005808301
data_agm005808301
_cell_length_a 9.22375
_cell_length_b 9.22381
_cell_length_c 9.22381
_cell_angle_alpha 107.24048
_cell_angle_beta 112.12385
_cell_angle_gamma 109.08750
_cell_volume 602.96915
_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
Ac1 Ac 0.53417 0.81840 0.71577 1.00000
Ac2 Ac 0.46583 0.18160 0.28423 1.00000
Ac3 Ac 0.10263 0.81840 0.28423 1.00000
Ac4 Ac 0.89737 0.18160 0.71577 1.00000
Ac5 Ac 0.80077 0.03261 0.23184 1.00000
Ac6 Ac 0.19923 0.96739 0.76816 1.00000
Ac7 Ac 0.19923 0.43106 0.23183 1.00000
Ac8 Ac 0.80077 0.56894 0.76817 1.00000
Ac9 Ac 0.68328 0.32769 0.01097 1.00000
Ac10 Ac 0.31672 0.67231 0.98903 1.00000
Ac11 Ac 0.31672 0.32769 0.64441 1.00000
Ac12 Ac 0.68328 0.67231 0.35559 1.00000
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Cd2 Cd 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.50000 0.10159 0.60159 1.00000
Fe2 Fe 0.50000 0.89841 0.39841 1.00000
Fe3 Fe 0.67003 0.67003 0.00001 1.00000
Fe4 Fe 0.32997 0.32997 0.00000 1.00000
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