Cs(TePb2)4
Alexandria ALEXAlex-ID: agm097765077 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1214_spg1
Cs2Te2Pb TePb Pb
2025-06-19 19:06:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097765077).
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 agm097765077
data_agm097765077
_cell_length_a 4.63022
_cell_length_b 11.16921
_cell_length_c 11.54922
_cell_angle_alpha 57.86800
_cell_angle_beta 90.13671
_cell_angle_gamma 90.08244
_cell_volume 505.78875
_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
Cs1 Cs 0.61529 0.15659 0.81790 1.00000
Te1 Te 0.11694 0.88879 0.11797 1.00000
Te2 Te 0.11467 0.45016 0.16496 1.00000
Te3 Te 0.11447 0.50383 0.56086 1.00000
Te4 Te 0.11522 0.94603 0.50439 1.00000
Pb1 Pb 0.11480 0.13434 0.17229 1.00000
Pb2 Pb 0.61548 0.68466 0.09749 1.00000
Pb3 Pb 0.61334 0.65849 0.70680 1.00000
Pb4 Pb 0.61292 0.44040 0.41527 1.00000
Pb5 Pb 0.62372 0.77005 0.36249 1.00000
Pb6 Pb 0.61512 0.16824 0.36293 1.00000
Pb7 Pb 0.11397 0.44153 0.88068 1.00000
Pb8 Pb 0.11406 0.75690 0.83597 1.00000
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