Ce2ErPdS5
Alexandria ALEXAlex-ID: agm005159488 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_248_spg36
CePd8 Er2S3 Ce3S5 CePdS2
2023-01-19 13:53:18.711114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159488).
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 agm005159488
data_agm005159488
_cell_length_a 3.87148
_cell_length_b 8.39190
_cell_length_c 11.93499
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.33639
_cell_volume 377.30012
_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
Ce1 Ce 0.89036 0.78072 0.85082 1.00000
Ce2 Ce 0.12153 0.24305 0.69725 1.00000
Ce3 Ce 0.10964 0.21928 0.35082 1.00000
Ce4 Ce 0.87847 0.75695 0.19725 1.00000
Er1 Er 0.82339 0.64677 0.52482 1.00000
Er2 Er 0.17661 0.35323 0.02482 1.00000
Pd1 Pd 0.55324 0.10648 0.92060 1.00000
Pd2 Pd 0.44676 0.89352 0.42060 1.00000
S1 S 0.34155 0.68310 0.02170 1.00000
S2 S 0.69594 0.39189 0.85898 1.00000
S3 S 0.49654 0.99308 0.74043 1.00000
S4 S 0.30564 0.61128 0.68526 1.00000
S5 S 0.99096 0.98192 0.52410 1.00000
S6 S 0.65845 0.31690 0.52170 1.00000
S7 S 0.30406 0.60811 0.35898 1.00000
S8 S 0.50346 0.00692 0.24043 1.00000
S9 S 0.69436 0.38872 0.18526 1.00000
S10 S 0.00904 0.01808 0.02410 1.00000
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