Ce3Al7Co4
Alexandria ALEXAlex-ID: agm005705645 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
CeAl2Co AlCo
2023-06-29 16:03:23.884934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705645).
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 agm005705645
data_agm005705645
_cell_length_a 4.14551
_cell_length_b 7.66047
_cell_length_c 8.45850
_cell_angle_alpha 69.18134
_cell_angle_beta 75.81519
_cell_angle_gamma 74.30130
_cell_volume 238.37857
_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
Ce1 Ce 0.30728 0.18137 0.20407 1.00000
Ce2 Ce 0.69272 0.81863 0.79593 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.31960 0.83952 0.52127 1.00000
Al2 Al 0.48809 0.23277 0.79104 1.00000
Al3 Al 0.84286 0.39105 0.92322 1.00000
Al4 Al 0.68040 0.16048 0.47873 1.00000
Al5 Al 0.15714 0.60895 0.07678 1.00000
Al6 Al 0.00000 0.00000 0.00000 1.00000
Al7 Al 0.51191 0.76723 0.20896 1.00000
Co1 Co 0.67333 0.43915 0.21419 1.00000
Co2 Co 0.32667 0.56085 0.78581 1.00000
Co3 Co 0.89690 0.86306 0.34314 1.00000
Co4 Co 0.10310 0.13694 0.65686 1.00000
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