Ti3ZnBi2(PbO6)2
Alexandria ALEXAlex-ID: agm010791056 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_27_spg1
TiBi2O5 TiPbO3 ZnO
2024-07-24 06:33:25.846668
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010791056).
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 agm010791056
data_agm010791056
_cell_length_a 5.44469
_cell_length_b 6.14949
_cell_length_c 9.76770
_cell_angle_alpha 81.88314
_cell_angle_beta 73.72491
_cell_angle_gamma 64.79257
_cell_volume 283.95142
_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
Ti1 Ti 0.74143 0.61934 0.88190 1.00000
Ti2 Ti 0.23397 0.87152 0.62701 1.00000
Ti3 Ti 0.73306 0.12414 0.38609 1.00000
Zn1 Zn 0.24060 0.33855 0.13236 1.00000
Bi1 Bi 0.06695 0.92601 0.00006 1.00000
Bi2 Bi 0.53595 0.66646 0.23115 1.00000
Pb1 Pb 0.51661 0.19107 0.75906 1.00000
Pb2 Pb 0.01945 0.45271 0.49223 1.00000
O1 O 0.42863 0.34110 0.29346 1.00000
O2 O 0.93668 0.08016 0.53287 1.00000
O3 O 0.90207 0.58991 0.03939 1.00000
O4 O 0.40965 0.81903 0.79183 1.00000
O5 O 0.89728 0.35575 0.29672 1.00000
O6 O 0.43499 0.07569 0.53923 1.00000
O7 O 0.41537 0.58500 0.04064 1.00000
O8 O 0.92353 0.82106 0.77799 1.00000
O9 O 0.38486 0.04488 0.02867 1.00000
O10 O 0.91803 0.33351 0.80491 1.00000
O11 O 0.41552 0.60683 0.53210 1.00000
O12 O 0.91937 0.87027 0.27535 1.00000
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