Cs3Er2ScTe6
Alexandria ALEXAlex-ID: agm004645552 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_221_spg12
CsScTe2 CsErTe2
2022-07-02 06:35:22.788857
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004645552).
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 agm004645552
data_agm004645552
_cell_length_a 7.75090
_cell_length_b 7.75090
_cell_length_c 9.25481
_cell_angle_alpha 98.02910
_cell_angle_beta 98.02910
_cell_angle_gamma 119.99374
_cell_volume 462.37064
_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
Cs1 Cs 0.16960 0.83040 0.50000 1.00000
Cs2 Cs 0.83040 0.16960 0.50000 1.00000
Cs3 Cs 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.33366 0.66634 0.00000 1.00000
Er2 Er 0.66634 0.33366 0.00000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.93837 0.61418 0.81489 1.00000
Te2 Te 0.73802 0.73802 0.18642 1.00000
Te3 Te 0.06163 0.38582 0.18511 1.00000
Te4 Te 0.61418 0.93837 0.81489 1.00000
Te5 Te 0.26198 0.26198 0.81358 1.00000
Te6 Te 0.38582 0.06163 0.18511 1.00000
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