HfU2(CrC2)2
Alexandria ALEXAlex-ID: agm004560643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_134_spg12
U2Cr2C3 HfC
2022-06-19 11:18:37.500031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004560643).
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 agm004560643
data_agm004560643
_cell_length_a 3.13558
_cell_length_b 6.59703
_cell_length_c 5.83594
_cell_angle_alpha 104.94794
_cell_angle_beta 90.00000
_cell_angle_gamma 103.74793
_cell_volume 113.05083
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
U1 U 0.87365 0.74729 0.46180 1.00000
U2 U 0.12635 0.25271 0.53820 1.00000
Cr1 Cr 0.31934 0.63869 0.98695 1.00000
Cr2 Cr 0.68066 0.36131 0.01305 1.00000
C1 C 0.76947 0.53895 0.76882 1.00000
C2 C 0.23053 0.46105 0.23118 1.00000
C3 C 0.46020 0.92039 0.25165 1.00000
C4 C 0.53980 0.07961 0.74835 1.00000
Get direct link