UZn3Ga2
Alexandria ALEXAlex-ID: agm005806260 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_444_spg72
UZn12 U2Zn17 UGa3
2023-08-25 11:22:20.986749
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806260).
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 agm005806260
data_agm005806260
_cell_length_a 5.76597
_cell_length_b 5.33352
_cell_length_c 8.26261
_cell_angle_alpha 108.82936
_cell_angle_beta 110.42123
_cell_angle_gamma 90.00001
_cell_volume 223.56228
_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 0.00000 0.50000 0.00000 1.00000
U2 U 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.25000 0.00000 1.00000
Zn2 Zn 0.50000 0.75000 0.00000 1.00000
Zn3 Zn 0.19441 0.44441 0.38881 1.00000
Zn4 Zn 0.80559 0.05559 0.61119 1.00000
Zn5 Zn 0.80559 0.55559 0.61119 1.00000
Zn6 Zn 0.19441 0.94441 0.38881 1.00000
Ga1 Ga 0.54386 0.65179 0.30357 1.00000
Ga2 Ga 0.24029 0.84821 0.69643 1.00000
Ga3 Ga 0.75971 0.15179 0.30357 1.00000
Ga4 Ga 0.45614 0.34821 0.69643 1.00000
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