K4Pm3BiTe8
Alexandria ALEXAlex-ID: agm004733859 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_70_spg166
KBiTe2 KPmTe2
2022-07-07 22:50:06.021543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004733859).
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 agm004733859
data_agm004733859
_cell_length_a 9.20294
_cell_length_b 9.81986
_cell_length_c 9.20318
_cell_angle_alpha 118.00284
_cell_angle_beta 119.99913
_cell_angle_gamma 90.00000
_cell_volume 605.24389
_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 0.50000 0.00000 0.00000 1.00000
K2 K 0.50000 0.00000 0.50000 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
K4 K 0.00000 0.00000 0.50000 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.50000 0.50000 0.50000 1.00000
Pm3 Pm 0.00000 0.50000 0.50000 1.00000
Bi1 Bi 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.23746 0.71250 0.97554 1.00000
Te2 Te 0.23745 0.71252 0.47490 1.00000
Te3 Te 0.26213 0.28686 0.52426 1.00000
Te4 Te 0.73808 0.71250 0.97554 1.00000
Te5 Te 0.26192 0.28750 0.02446 1.00000
Te6 Te 0.73787 0.71314 0.47574 1.00000
Te7 Te 0.76255 0.28748 0.52510 1.00000
Te8 Te 0.76254 0.28750 0.02446 1.00000
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