Er5Te4C
Alexandria ALEXAlex-ID: agm003660154 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Er6Te5C Er2TeC
2022-04-06 06:51:00.497474
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003660154).
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 agm003660154
data_agm003660154
_cell_length_a 5.94244
_cell_length_b 7.28151
_cell_length_c 7.28151
_cell_angle_alpha 80.41535
_cell_angle_beta 65.91763
_cell_angle_gamma 65.91763
_cell_volume 262.60980
_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 0.91271 0.33277 0.84878 1.00000
Er2 Er 0.24548 0.84878 0.66723 1.00000
Er3 Er 0.76150 0.15122 0.33277 1.00000
Er4 Er 0.09427 0.66723 0.15122 1.00000
Er5 Er 0.45795 0.00000 0.00000 1.00000
Te1 Te 0.41654 0.39633 0.77551 1.00000
Te2 Te 0.81287 0.77551 0.60367 1.00000
Te3 Te 0.19205 0.22449 0.39633 1.00000
Te4 Te 0.58838 0.60367 0.22449 1.00000
C1 C 0.02856 0.00000 0.00000 1.00000
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