Ge3Pb3O10
Alexandria ALEXAlex-ID: agm005237441 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C10_25_spg148
Ge3Pb3O10
2023-05-02 04:16:09.513081
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237441).
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 agm005237441
data_agm005237441
_cell_length_a 7.40428
_cell_length_b 9.52826
_cell_length_c 9.52162
_cell_angle_alpha 66.39259
_cell_angle_beta 75.19186
_cell_angle_gamma 105.18710
_cell_volume 542.43387
_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
Ge1 Ge 0.84784 0.60588 0.13196 1.00000
Ge2 Ge 0.97872 0.13212 0.26335 1.00000
Ge3 Ge 0.24310 0.26324 0.60472 1.00000
Ge4 Ge 0.15215 0.39411 0.86804 1.00000
Ge5 Ge 0.02128 0.86787 0.73665 1.00000
Ge6 Ge 0.75690 0.73676 0.39527 1.00000
Pb1 Pb 0.48965 0.16268 0.30644 1.00000
Pb2 Pb 0.79692 0.30635 0.53171 1.00000
Pb3 Pb 0.32841 0.53227 0.16166 1.00000
Pb4 Pb 0.51035 0.83732 0.69356 1.00000
Pb5 Pb 0.20308 0.69365 0.46829 1.00000
Pb6 Pb 0.67159 0.46773 0.83834 1.00000
O1 O 0.72131 0.69985 0.23183 1.00000
O2 O 0.95252 0.23185 0.06857 1.00000
O3 O 0.02291 0.06871 0.69699 1.00000
O4 O 0.27869 0.30015 0.76817 1.00000
O5 O 0.04747 0.76815 0.93144 1.00000
O6 O 0.97708 0.93129 0.30301 1.00000
O7 O 0.96777 0.50121 0.24894 1.00000
O8 O 0.21547 0.24924 0.25151 1.00000
O9 O 0.46780 0.25171 0.50043 1.00000
O10 O 0.03222 0.49879 0.75105 1.00000
O11 O 0.78453 0.75075 0.74849 1.00000
O12 O 0.53220 0.74829 0.49957 1.00000
O13 O 0.65458 0.47071 0.11134 1.00000
O14 O 0.76563 0.11205 0.41822 1.00000
O15 O 0.18565 0.41923 0.46957 1.00000
O16 O 0.34543 0.52929 0.88866 1.00000
O17 O 0.23437 0.88795 0.58178 1.00000
O18 O 0.81435 0.58077 0.53043 1.00000
O19 O 0.56378 0.99055 0.95189 1.00000
O20 O 0.43623 0.00945 0.04811 1.00000
