NaEu2S9
Alexandria ALEXAlex-ID: agm101986445 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_597_spg1
NaS9 Eu3S4 NaS6
2025-05-20 11:32:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101986445).
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 agm101986445
data_agm101986445
_cell_length_a 4.59307
_cell_length_b 9.13224
_cell_length_c 8.32745
_cell_angle_alpha 117.84303
_cell_angle_beta 103.86506
_cell_angle_gamma 90.56314
_cell_volume 296.82720
_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 0.18598 0.93341 0.94941 1.00000
Eu1 Eu 0.67772 0.35703 0.71274 1.00000
Eu2 Eu 0.01974 0.80046 0.40592 1.00000
S1 S 0.42688 0.08792 0.77056 1.00000
S2 S 0.98070 0.45100 0.10630 1.00000
S3 S 0.86325 0.52094 0.49839 1.00000
S4 S 0.26063 0.58600 0.87848 1.00000
S5 S 0.40915 0.76636 0.16317 1.00000
S6 S 0.61154 0.86389 0.65490 1.00000
S7 S 0.70490 0.36734 0.21470 1.00000
S8 S 0.05140 0.14997 0.45308 1.00000
S9 S 0.80812 0.11566 0.19235 1.00000
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