YU2TaC4
Alexandria ALEXAlex-ID: agm004869082 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
YUC2 UTaC2
2023-01-21 22:08:18.589868
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004869082).
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 agm004869082
data_agm004869082
_cell_length_a 6.86036
_cell_length_b 6.86030
_cell_length_c 6.91933
_cell_angle_alpha 120.28497
_cell_angle_beta 120.28484
_cell_angle_gamma 90.44577
_cell_volume 227.33813
_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
Y1 Y 0.00000 0.50000 1.00000 1.00000
Y2 Y 0.00000 0.50000 0.50000 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
U2 U 0.50000 0.00000 0.50000 1.00000
U3 U 0.00000 0.00000 0.50000 1.00000
U4 U 0.50000 0.50000 1.00000 1.00000
Ta1 Ta 0.50000 0.50000 0.50000 1.00000
Ta2 Ta 0.00000 0.00000 0.00000 1.00000
C1 C 0.25893 0.77934 0.01913 1.00000
C2 C 0.72065 0.24107 0.48086 1.00000
C3 C 0.27934 0.75893 0.51913 1.00000
C4 C 0.74107 0.22066 0.98088 1.00000
C5 C 0.74536 0.75461 0.98524 1.00000
C6 C 0.74538 0.75463 0.51476 1.00000
C7 C 0.25462 0.24537 0.48524 1.00000
C8 C 0.25464 0.24539 0.01476 1.00000
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