Na2UBeS5
Alexandria ALEXAlex-ID: agm005159295 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_219_spg36
NaS6 US3 Na3US4 BeS
2023-01-21 05:50:15.879486
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159295).
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 agm005159295
data_agm005159295
_cell_length_a 3.88781
_cell_length_b 8.58475
_cell_length_c 13.20084
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.08739
_cell_volume 429.14604
_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 0.90717 0.81434 0.85595 1.00000
Na2 Na 0.08066 0.16131 0.66552 1.00000
Na3 Na 0.09283 0.18566 0.35595 1.00000
Na4 Na 0.91934 0.83869 0.16552 1.00000
U1 U 0.78513 0.57026 0.52714 1.00000
U2 U 0.21487 0.42974 0.02714 1.00000
Be1 Be 0.58141 0.16282 0.91516 1.00000
Be2 Be 0.41859 0.83718 0.41516 1.00000
S1 S 0.36029 0.72058 0.01620 1.00000
S2 S 0.70860 0.41721 0.89273 1.00000
S3 S 0.51410 0.02820 0.79063 1.00000
S4 S 0.28976 0.57952 0.65525 1.00000
S5 S 0.93572 0.87145 0.50540 1.00000
S6 S 0.63971 0.27942 0.51620 1.00000
S7 S 0.29140 0.58279 0.39273 1.00000
S8 S 0.48590 0.97180 0.29063 1.00000
S9 S 0.71024 0.42048 0.15525 1.00000
S10 S 0.06428 0.12855 0.00540 1.00000
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