KPr2ErTe4
Alexandria ALEXAlex-ID: agm004861663 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
KErTe2 PrTe
2022-07-16 17:00:59.276421
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004861663).
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 agm004861663
data_agm004861663
_cell_length_a 4.47696
_cell_length_b 7.91407
_cell_length_c 7.92001
_cell_angle_alpha 71.59102
_cell_angle_beta 89.99973
_cell_angle_gamma 89.99969
_cell_volume 266.25343
_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
K1 K 0.00000 0.49999 0.50000 1.00000
Pr1 Pr 0.00000 0.00000 1.00000 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.50000 0.50000 1.00000 1.00000
Te1 Te 0.00000 0.74024 0.76461 1.00000
Te2 Te 1.00000 0.25976 0.23538 1.00000
Te3 Te 0.50000 0.75228 0.23527 1.00000
Te4 Te 0.50000 0.24773 0.76473 1.00000
Get direct link