Y3CdS
Alexandria ALEXAlex-ID: agm005778117 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4790_spg62
Y4CdS2 Y2Cd
2023-07-06 00:53:29.001799
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778117).
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 agm005778117
data_agm005778117
_cell_length_a 3.90019
_cell_length_b 9.08433
_cell_length_c 14.89427
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 527.71384
_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 0.75000 0.20411 0.28522 1.00000
Y2 Y 0.25000 0.66497 0.98296 1.00000
Y3 Y 0.25000 0.02532 0.10942 1.00000
Y4 Y 0.25000 0.52532 0.39058 1.00000
Y5 Y 0.25000 0.16497 0.51704 1.00000
Y6 Y 0.75000 0.47468 0.60942 1.00000
Y7 Y 0.25000 0.29589 0.78522 1.00000
Y8 Y 0.75000 0.97468 0.89058 1.00000
Y9 Y 0.75000 0.33503 0.01704 1.00000
Y10 Y 0.75000 0.70411 0.21478 1.00000
Y11 Y 0.75000 0.83503 0.48296 1.00000
Y12 Y 0.25000 0.79589 0.71478 1.00000
Cd1 Cd 0.25000 0.92703 0.32341 1.00000
Cd2 Cd 0.75000 0.07297 0.67659 1.00000
Cd3 Cd 0.75000 0.57297 0.82341 1.00000
Cd4 Cd 0.25000 0.42703 0.17659 1.00000
S1 S 0.25000 0.66343 0.55285 1.00000
S2 S 0.75000 0.33657 0.44715 1.00000
S3 S 0.75000 0.83657 0.05285 1.00000
S4 S 0.25000 0.16343 0.94715 1.00000
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