ErS4
Alexandria ALEXAlex-ID: agm008501331 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_2177_spg1
ErS18 Er2S3
2024-03-08 08:42:48.790450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008501331).
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 agm008501331
data_agm008501331
_cell_length_a 7.39604
_cell_length_b 7.15352
_cell_length_c 7.96488
_cell_angle_alpha 103.61667
_cell_angle_beta 103.77716
_cell_angle_gamma 104.37298
_cell_volume 376.53922
_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
Er1 Er 0.27945 0.36080 0.45899 1.00000
Er2 Er 0.48386 0.98966 0.93862 1.00000
Er3 Er 0.54797 0.96786 0.47917 1.00000
S1 S 0.74583 0.61887 0.08306 1.00000
S2 S 0.92713 0.15574 0.50364 1.00000
S3 S 0.08308 0.10596 0.94457 1.00000
S4 S 0.18004 0.63850 0.26573 1.00000
S5 S 0.46569 0.19582 0.26473 1.00000
S6 S 0.07143 0.82143 0.83024 1.00000
S7 S 0.94217 0.67534 0.33766 1.00000
S8 S 0.41606 0.19221 0.70404 1.00000
S9 S 0.51420 0.69742 0.13492 1.00000
S10 S 0.90038 0.23313 0.75611 1.00000
S11 S 0.91419 0.13124 0.11771 1.00000
S12 S 0.52854 0.71602 0.68080 1.00000
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