U3Zn3Co8
Alexandria ALEXAlex-ID: agm008689751 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Zn11Co2 UCo3 UCo
2024-03-04 10:57:39.618398
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008689751).
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 agm008689751
data_agm008689751
_cell_length_a 4.24128
_cell_length_b 7.29190
_cell_length_c 7.27924
_cell_angle_alpha 105.41595
_cell_angle_beta 96.80385
_cell_angle_gamma 106.43744
_cell_volume 203.53700
_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
U1 U 0.01458 0.36388 0.75034 1.00000
U2 U 0.98542 0.63612 0.24966 1.00000
U3 U 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.26425 0.01041 0.60879 1.00000
Zn3 Zn 0.73575 0.98959 0.39121 1.00000
Co1 Co 0.38082 0.41488 0.12992 1.00000
Co2 Co 0.61918 0.58512 0.87008 1.00000
Co3 Co 0.30006 0.12592 0.30214 1.00000
Co4 Co 0.69994 0.87408 0.69786 1.00000
Co5 Co 0.11489 0.66868 0.70168 1.00000
Co6 Co 0.88511 0.33132 0.29832 1.00000
Co7 Co 0.34772 0.77043 0.08355 1.00000
Co8 Co 0.65228 0.22957 0.91645 1.00000
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