Er3SiTe2
Alexandria ALEXAlex-ID: agm034385133 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Er3SiTe2
2024-12-23 18:45:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034385133).
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 agm034385133
data_agm034385133
_cell_length_a 14.07633
_cell_length_b 13.42226
_cell_length_c 7.38928
_cell_angle_alpha 79.36282
_cell_angle_beta 69.57803
_cell_angle_gamma 31.05914
_cell_volume 655.87034
_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
Er1 Er 0.66051 0.16199 0.86756 1.00000
Er2 Er 0.16199 0.66051 0.30994 1.00000
Er3 Er 0.58949 0.08801 0.38244 1.00000
Er4 Er 0.08801 0.58949 0.94006 1.00000
Er5 Er 0.46935 0.03065 0.03065 1.00000
Er6 Er 0.03065 0.46935 0.46935 1.00000
Er7 Er 0.94006 0.38244 0.08801 1.00000
Er8 Er 0.38244 0.94006 0.58949 1.00000
Er9 Er 0.30994 0.86756 0.16199 1.00000
Er10 Er 0.86756 0.30994 0.66051 1.00000
Er11 Er 0.78065 0.21935 0.21935 1.00000
Er12 Er 0.21935 0.78065 0.78065 1.00000
Si1 Si 0.91646 0.91646 0.08354 1.00000
Si2 Si 0.33354 0.33354 0.16646 1.00000
Si3 Si 0.16646 0.16646 0.33354 1.00000
Si4 Si 0.08354 0.08354 0.91646 1.00000
Te1 Te 0.99640 0.99640 0.50360 1.00000
Te2 Te 0.41992 0.41992 0.58008 1.00000
Te3 Te 0.83008 0.83008 0.66992 1.00000
Te4 Te 0.25360 0.25360 0.74640 1.00000
Te5 Te 0.74640 0.74640 0.25360 1.00000
Te6 Te 0.66992 0.66992 0.83008 1.00000
Te7 Te 0.58008 0.58008 0.41992 1.00000
Te8 Te 0.50360 0.50360 0.99640 1.00000
