SmYCl3
Alexandria ALEXAlex-ID: agm005907979 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5190_spg12
SmYCl3
2023-07-03 08:32:16.984844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005907979).
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 agm005907979
data_agm005907979
_cell_length_a 3.89060
_cell_length_b 8.19151
_cell_length_c 9.78155
_cell_angle_alpha 71.52147
_cell_angle_beta 78.52884
_cell_angle_gamma 76.26225
_cell_volume 284.60966
_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
Sm1 Sm 0.13975 0.01162 0.70889 1.00000
Sm2 Sm 0.86025 0.98838 0.29111 1.00000
Y1 Y 0.41481 0.21798 0.95241 1.00000
Y2 Y 0.58519 0.78202 0.04759 1.00000
Cl1 Cl 0.65889 0.18938 0.49284 1.00000
Cl2 Cl 0.34111 0.81062 0.50716 1.00000
Cl3 Cl 0.22366 0.66787 0.88481 1.00000
Cl4 Cl 0.77634 0.33213 0.11519 1.00000
Cl5 Cl 0.95416 0.34557 0.74611 1.00000
Cl6 Cl 0.04584 0.65443 0.25389 1.00000
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