Y8ErS4
Alexandria ALEXAlex-ID: agm006044992 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1_spg8
YEr5 Y5Er Y4S3
2023-08-30 21:20:07.558284
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006044992).
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 agm006044992
data_agm006044992
_cell_length_a 3.79950
_cell_length_b 9.55105
_cell_length_c 10.03546
_cell_angle_alpha 82.02460
_cell_angle_beta 79.08786
_cell_angle_gamma 78.52708
_cell_volume 348.50967
_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
Y1 Y 0.14548 0.33489 0.37416 1.00000
Y2 Y 0.55360 0.66757 0.22523 1.00000
Y3 Y 0.47783 0.33579 0.70854 1.00000
Y4 Y 0.88595 0.66852 0.55957 1.00000
Y5 Y 0.85535 0.00225 0.28705 1.00000
Y6 Y 0.20891 0.68471 0.89747 1.00000
Y7 Y 0.17608 0.00113 0.64670 1.00000
Y8 Y 0.82251 0.31871 0.03627 1.00000
Er1 Er 0.51571 0.00169 0.96688 1.00000
S1 S 0.36526 0.83924 0.43024 1.00000
S2 S 0.84373 0.50821 0.80433 1.00000
S3 S 0.18771 0.49519 0.12939 1.00000
S4 S 0.66615 0.16418 0.50353 1.00000
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