Y4InS2
Alexandria ALEXAlex-ID: agm006050996 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_20_spg63
Y4InS2
2023-10-16 04:58:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006050996).
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 agm006050996
data_agm006050996
_cell_length_a 3.95408
_cell_length_b 6.88376
_cell_length_c 13.57153
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.69060
_cell_volume 353.83912
_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 0.76609 0.53217 0.11520 1.00000
Y2 Y 0.76609 0.53217 0.38480 1.00000
Y3 Y 0.23391 0.46783 0.88480 1.00000
Y4 Y 0.23391 0.46783 0.61520 1.00000
Y5 Y 0.92601 0.85201 0.75000 1.00000
Y6 Y 0.07399 0.14799 0.25000 1.00000
Y7 Y 0.50000 0.00000 0.00000 1.00000
Y8 Y 0.50000 0.00000 0.50000 1.00000
In1 In 0.60754 0.21507 0.75000 1.00000
In2 In 0.39246 0.78493 0.25000 1.00000
S1 S 0.13384 0.26768 0.44159 1.00000
S2 S 0.86616 0.73232 0.94159 1.00000
S3 S 0.13384 0.26768 0.05841 1.00000
S4 S 0.86616 0.73232 0.55841 1.00000
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