Er6Te3Ru2Se
Alexandria ALEXAlex-ID: agm033830007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_163_spg12
Er5Te6 Er5(TeRu)2 ErRu2 Er2TeSe
2024-09-25 04:05:43.323479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033830007).
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 agm033830007
data_agm033830007
_cell_length_a 9.63502
_cell_length_b 9.63502
_cell_length_c 8.36435
_cell_angle_alpha 70.54477
_cell_angle_beta 70.54477
_cell_angle_gamma 25.07307
_cell_volume 309.31042
_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 0.66139 0.66139 0.88777 1.00000
Er2 Er 0.32207 0.32207 0.68910 1.00000
Er3 Er 0.33861 0.33861 0.11223 1.00000
Er4 Er 0.96843 0.96843 0.78531 1.00000
Er5 Er 0.03157 0.03157 0.21469 1.00000
Er6 Er 0.67793 0.67793 0.31090 1.00000
Te1 Te 0.50000 0.50000 0.50000 1.00000
Te2 Te 0.15596 0.15596 0.61757 1.00000
Te3 Te 0.84404 0.84404 0.38243 1.00000
Ru1 Ru 0.19428 0.19428 0.07191 1.00000
Ru2 Ru 0.80572 0.80572 0.92809 1.00000
Se1 Se 0.50000 0.50000 0.00000 1.00000
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