K2TlGeO5
Alexandria ALEXAlex-ID: agm005149185 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
KO4 Tl2O3 K2Ge2O5 K2GeO3
2023-01-17 14:23:03.653119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149185).
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 agm005149185
data_agm005149185
_cell_length_a 3.47015
_cell_length_b 6.70933
_cell_length_c 13.52887
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.98739
_cell_volume 304.26912
_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 0.82743 0.65487 0.80129 1.00000
K2 K 0.06310 0.12620 0.67394 1.00000
K3 K 0.17257 0.34513 0.30129 1.00000
K4 K 0.93690 0.87380 0.17394 1.00000
Tl1 Tl 0.78000 0.55999 0.54209 1.00000
Tl2 Tl 0.22000 0.44001 0.04209 1.00000
Ge1 Ge 0.52639 0.05279 0.92884 1.00000
Ge2 Ge 0.47361 0.94721 0.42884 1.00000
O1 O 0.40113 0.80226 0.00388 1.00000
O2 O 0.67242 0.34484 0.93365 1.00000
O3 O 0.48973 0.97945 0.80626 1.00000
O4 O 0.27035 0.54070 0.64447 1.00000
O5 O 0.96636 0.93272 0.48954 1.00000
O6 O 0.59887 0.19774 0.50388 1.00000
O7 O 0.32758 0.65516 0.43365 1.00000
O8 O 0.51027 0.02055 0.30626 1.00000
O9 O 0.72965 0.45930 0.14447 1.00000
O10 O 0.03364 0.06728 0.98954 1.00000
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