Ce4(ErS2)11
Alexandria ALEXAlex-ID: agm005284037 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B11C22_0_spg12
Ce4(ErS2)11
2023-04-20 09:24:53.761365
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284037).
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 agm005284037
data_agm005284037
_cell_length_a 19.65580
_cell_length_b 19.65580
_cell_length_c 11.30695
_cell_angle_alpha 88.48055
_cell_angle_beta 88.48055
_cell_angle_gamma 11.48365
_cell_volume 869.39740
_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 0.63287 0.63287 0.34827 1.00000
Ce2 Ce 0.36713 0.36713 0.65173 1.00000
Ce3 Ce 0.89519 0.89519 0.01195 1.00000
Ce4 Ce 0.10481 0.10481 0.98805 1.00000
Er1 Er 0.53871 0.53871 0.26930 1.00000
Er2 Er 0.46129 0.46129 0.73070 1.00000
Er3 Er 0.93005 0.93005 0.35972 1.00000
Er4 Er 0.06995 0.06995 0.64028 1.00000
Er5 Er 0.73610 0.73610 0.35144 1.00000
Er6 Er 0.26390 0.26390 0.64856 1.00000
Er7 Er 0.20226 0.20226 0.05873 1.00000
Er8 Er 0.79774 0.79774 0.94127 1.00000
Er9 Er 0.00000 0.00000 0.00000 1.00000
Er10 Er 0.34211 0.34211 0.30153 1.00000
Er11 Er 0.65789 0.65789 0.69847 1.00000
S1 S 0.40646 0.40646 0.21050 1.00000
S2 S 0.59354 0.59354 0.78950 1.00000
S3 S 0.91191 0.91191 0.75318 1.00000
S4 S 0.08809 0.08809 0.24682 1.00000
S5 S 0.99237 0.99237 0.24034 1.00000
S6 S 0.00763 0.00763 0.75966 1.00000
S7 S 0.64963 0.64963 0.09139 1.00000
S8 S 0.35037 0.35037 0.90861 1.00000
S9 S 0.54698 0.54698 0.02908 1.00000
S10 S 0.45302 0.45302 0.97092 1.00000
S11 S 0.83119 0.83119 0.15038 1.00000
S12 S 0.16881 0.16881 0.84962 1.00000
S13 S 0.74503 0.74503 0.11903 1.00000
S14 S 0.25497 0.25497 0.88097 1.00000
S15 S 0.81124 0.81124 0.69079 1.00000
S16 S 0.18876 0.18876 0.30921 1.00000
S17 S 0.55556 0.55556 0.49352 1.00000
S18 S 0.44444 0.44444 0.50648 1.00000
S19 S 0.86520 0.86520 0.45356 1.00000
S20 S 0.13480 0.13480 0.54644 1.00000
S21 S 0.72009 0.72009 0.59022 1.00000
S22 S 0.27991 0.27991 0.40978 1.00000
