Cr3Co4
Alexandria ALEXAlex-ID: agm005486769 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_106_spg139
Co Cr
2023-03-17 23:30:46.517898
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486769).
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 agm005486769
data_agm005486769
_cell_length_a 9.80274
_cell_length_b 9.80274
_cell_length_c 9.80274
_cell_angle_alpha 163.19450
_cell_angle_beta 163.19450
_cell_angle_gamma 23.85335
_cell_volume 78.72395
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.28428 0.28428 0.00000 1.00000
Cr3 Cr 0.71572 0.71572 0.00000 1.00000
Co1 Co 0.14371 0.14371 0.00000 1.00000
Co2 Co 0.43050 0.43050 0.00000 1.00000
Co3 Co 0.56950 0.56950 0.00000 1.00000
Co4 Co 0.85629 0.85629 0.00000 1.00000
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