SrCe3(PrTe2)4
Alexandria ALEXAlex-ID: agm004733643 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
CePrTe2 SrTe PrTe
2023-02-05 10:24:59.389009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004733643).
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 agm004733643
data_agm004733643
_cell_length_a 9.07586
_cell_length_b 9.08081
_cell_length_c 9.07258
_cell_angle_alpha 119.94771
_cell_angle_beta 120.01197
_cell_angle_gamma 90.00000
_cell_volume 529.04490
_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
Sr1 Sr 0.00000 0.50000 0.00000 1.00000
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.50000 0.50000 0.50000 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
Pr1 Pr 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Pr4 Pr 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.25119 0.74935 0.99809 1.00000
Te2 Te 0.25123 0.74934 0.50246 1.00000
Te3 Te 0.25095 0.25298 0.50190 1.00000
Te4 Te 0.74690 0.74935 0.99809 1.00000
Te5 Te 0.25310 0.25065 0.00191 1.00000
Te6 Te 0.74905 0.74702 0.49810 1.00000
Te7 Te 0.74877 0.25066 0.49754 1.00000
Te8 Te 0.74881 0.25065 0.00191 1.00000
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