Pr6Sb2Te3As
Alexandria ALEXAlex-ID: agm047967066 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_593_spg12
Pr2SbTe Pr2TeAs
2025-01-17 16:52:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047967066).
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 agm047967066
data_agm047967066
_cell_length_a 7.78224
_cell_length_b 7.78224
_cell_length_c 7.86089
_cell_angle_alpha 80.45964
_cell_angle_beta 99.54036
_cell_angle_gamma 60.19465
_cell_volume 389.88917
_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 0.39774 0.92301 0.23202 1.00000
Pr2 Pr 0.24094 0.75906 0.76538 1.00000
Pr3 Pr 0.60226 0.07699 0.76798 1.00000
Pr4 Pr 0.07699 0.60226 0.23202 1.00000
Pr5 Pr 0.75906 0.24094 0.23462 1.00000
Pr6 Pr 0.92301 0.39774 0.76798 1.00000
Sb1 Sb 0.33428 0.33428 0.00000 1.00000
Sb2 Sb 0.66572 0.66572 0.00000 1.00000
Te1 Te 0.17095 0.17095 0.50000 1.00000
Te2 Te 0.82905 0.82905 0.50000 1.00000
Te3 Te 0.50000 0.50000 0.50000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
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