Na2UGaS5
Alexandria ALEXAlex-ID: agm005158726 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_292_spg36
Na3(US3)2 NaGaS2 US3
2023-01-16 10:54:39.977490
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158726).
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 agm005158726
data_agm005158726
_cell_length_a 3.93732
_cell_length_b 8.79625
_cell_length_c 13.28717
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.93274
_cell_volume 448.51038
_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
Na1 Na 0.89918 0.79837 0.84679 1.00000
Na2 Na 0.08495 0.16990 0.65956 1.00000
Na3 Na 0.10082 0.20163 0.34679 1.00000
Na4 Na 0.91505 0.83010 0.15956 1.00000
U1 U 0.77560 0.55119 0.53312 1.00000
U2 U 0.22440 0.44881 0.03312 1.00000
Ga1 Ga 0.57574 0.15147 0.91751 1.00000
Ga2 Ga 0.42426 0.84853 0.41751 1.00000
S1 S 0.36705 0.73410 0.00994 1.00000
S2 S 0.71258 0.42515 0.89469 1.00000
S3 S 0.50757 0.01515 0.77914 1.00000
S4 S 0.27898 0.55797 0.66101 1.00000
S5 S 0.93526 0.87053 0.52222 1.00000
S6 S 0.63295 0.26590 0.50994 1.00000
S7 S 0.28742 0.57485 0.39469 1.00000
S8 S 0.49243 0.98485 0.27914 1.00000
S9 S 0.72102 0.44203 0.16101 1.00000
S10 S 0.06474 0.12947 0.02222 1.00000
Get direct link