Pr4SiTe2Br
Alexandria ALEXAlex-ID: agm004812972 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
Pr6SiTe5 Pr3SiBr3 Pr3SiTe2 Pr
2022-07-20 19:52:18.746656
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004812972).
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 agm004812972
data_agm004812972
_cell_length_a 4.38598
_cell_length_b 7.71623
_cell_length_c 7.73192
_cell_angle_alpha 108.76155
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 247.76955
_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
Pr1 Pr 0.50000 0.26880 0.23365 1.00000
Pr2 Pr 0.50000 0.73120 0.76635 1.00000
Pr3 Pr 0.00000 0.27646 0.77736 1.00000
Pr4 Pr 0.00000 0.72354 0.22264 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.50000 0.00000 0.50000 1.00000
Te2 Te 0.00000 0.50000 0.50000 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
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