CeTmScS3
Alexandria ALEXAlex-ID: agm005035360 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_451_spg11
Ce2TmS3 CeTm2S3 ScS
2022-07-10 04:56:05.772318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005035360).
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 agm005035360
data_agm005035360
_cell_length_a 3.84412
_cell_length_b 7.55259
_cell_length_c 9.44926
_cell_angle_alpha 104.13697
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 266.03243
_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 0.25000 0.19353 0.21804 1.00000
Ce2 Ce 0.75000 0.80647 0.78196 1.00000
Tm1 Tm 0.25000 0.67261 0.09283 1.00000
Tm2 Tm 0.75000 0.32739 0.90717 1.00000
Sc1 Sc 0.25000 0.15963 0.61553 1.00000
Sc2 Sc 0.75000 0.84037 0.38447 1.00000
S1 S 0.75000 0.91502 0.12036 1.00000
S2 S 0.25000 0.08498 0.87964 1.00000
S3 S 0.25000 0.79840 0.54734 1.00000
S4 S 0.75000 0.20160 0.45266 1.00000
S5 S 0.75000 0.48729 0.19645 1.00000
S6 S 0.25000 0.51271 0.80355 1.00000
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