K4SmTl3(GeO3)8
Alexandria ALEXAlex-ID: agm011065663 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8E24_16_spg5
K4Sm2Ge4O13 K4Ge9O20 Sm2Ge2O7 Tl2O3
2025-01-23 02:14:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011065663).
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 agm011065663
data_agm011065663
_cell_length_a 8.43719
_cell_length_b 8.43719
_cell_length_c 10.75147
_cell_angle_alpha 62.10586
_cell_angle_beta 117.89414
_cell_angle_gamma 107.93580
_cell_volume 593.93980
_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 0.56177 0.56177 0.50000 1.00000
K2 K 0.05835 0.05835 0.00000 1.00000
K3 K 0.94086 0.44469 0.24828 1.00000
K4 K 0.44469 0.94086 0.75172 1.00000
Sm1 Sm 0.98463 0.98463 0.50000 1.00000
Tl1 Tl 0.48579 0.48579 0.00000 1.00000
Tl2 Tl 0.50818 0.01447 0.24613 1.00000
Tl3 Tl 0.01447 0.50818 0.75387 1.00000
Ge1 Ge 0.27526 0.30871 0.70045 1.00000
Ge2 Ge 0.76688 0.80482 0.19680 1.00000
Ge3 Ge 0.30871 0.27526 0.29955 1.00000
Ge4 Ge 0.80482 0.76688 0.80320 1.00000
Ge5 Ge 0.22885 0.69563 0.04941 1.00000
Ge6 Ge 0.72637 0.19387 0.55025 1.00000
Ge7 Ge 0.19387 0.72637 0.44975 1.00000
Ge8 Ge 0.69563 0.22885 0.95059 1.00000
O1 O 0.15292 0.11637 0.66769 1.00000
O2 O 0.65002 0.60266 0.17710 1.00000
O3 O 0.11637 0.15292 0.33231 1.00000
O4 O 0.60266 0.65002 0.82290 1.00000
O5 O 0.34681 0.89912 0.06651 1.00000
O6 O 0.85074 0.39313 0.57410 1.00000
O7 O 0.39313 0.85074 0.42590 1.00000
O8 O 0.89912 0.34681 0.93349 1.00000
O9 O 0.22537 0.49302 0.51639 1.00000
O10 O 0.72009 0.99244 0.01500 1.00000
O11 O 0.49302 0.22537 0.48361 1.00000
O12 O 0.99244 0.72009 0.98500 1.00000
O13 O 0.28137 0.51085 0.23224 1.00000
O14 O 0.77942 0.00496 0.73266 1.00000
O15 O 0.00496 0.77942 0.26734 1.00000
O16 O 0.51085 0.28137 0.76776 1.00000
O17 O 0.24780 0.35463 0.83455 1.00000
O18 O 0.73941 0.85671 0.32680 1.00000
O19 O 0.35463 0.24780 0.16545 1.00000
O20 O 0.85671 0.73941 0.67320 1.00000
O21 O 0.25379 0.64690 0.91564 1.00000
O22 O 0.74852 0.14326 0.41766 1.00000
O23 O 0.14326 0.74852 0.58234 1.00000
O24 O 0.64690 0.25379 0.08436 1.00000
