Na3Pr(ErTe2)4
Alexandria ALEXAlex-ID: agm043653643 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
PrErTe2 NaErTe2
2025-02-05 15:31:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043653643).
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 agm043653643
data_agm043653643
_cell_length_a 8.97200
_cell_length_b 8.97200
_cell_length_c 8.97200
_cell_angle_alpha 58.58998
_cell_angle_beta 58.58998
_cell_angle_gamma 58.58998
_cell_volume 494.22041
_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
Na1 Na 0.00000 0.00000 0.50000 1.00000
Na2 Na 0.00000 0.50000 0.00000 1.00000
Na3 Na 0.50000 0.00000 0.00000 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.00000 0.50000 0.50000 1.00000
Er3 Er 0.50000 0.50000 0.00000 1.00000
Er4 Er 0.50000 0.00000 0.50000 1.00000
Te1 Te 0.75547 0.25181 0.75547 1.00000
Te2 Te 0.75547 0.75547 0.25181 1.00000
Te3 Te 0.74441 0.74441 0.74441 1.00000
Te4 Te 0.25181 0.75547 0.75547 1.00000
Te5 Te 0.74819 0.24453 0.24453 1.00000
Te6 Te 0.25559 0.25559 0.25559 1.00000
Te7 Te 0.24453 0.24453 0.74819 1.00000
Te8 Te 0.24453 0.74819 0.24453 1.00000
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