Ca3Sm(DyTe3)2
Alexandria ALEXAlex-ID: agm004615366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
SmTe CaTe DyTe
2022-06-26 15:55:25.752634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004615366).
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 agm004615366
data_agm004615366
_cell_length_a 4.40173
_cell_length_b 8.94627
_cell_length_c 9.98464
_cell_angle_alpha 104.26419
_cell_angle_beta 102.73399
_cell_angle_gamma 90.00000
_cell_volume 371.07675
_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
Ca1 Ca 0.50000 0.50000 0.00000 1.00000
Ca2 Ca 0.83484 0.16869 0.66968 1.00000
Ca3 Ca 0.16516 0.83131 0.33032 1.00000
Sm1 Sm 0.50000 0.00000 0.00000 1.00000
Dy1 Dy 0.83627 0.67346 0.67253 1.00000
Dy2 Dy 0.16373 0.32654 0.32747 1.00000
Te1 Te 0.33192 0.91460 0.66384 1.00000
Te2 Te 0.66941 0.57739 0.33882 1.00000
Te3 Te 0.66808 0.08540 0.33616 1.00000
Te4 Te 0.00074 0.25316 0.00148 1.00000
Te5 Te 0.99926 0.74684 0.99852 1.00000
Te6 Te 0.33059 0.42261 0.66118 1.00000
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