KBaYGe2O7
Alexandria ALEXAlex-ID: agm010901323 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E7_70_spg11
Y2GeO5 K3YGe2O7 BaGeO3
2024-04-10 09:15:59.766656
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010901323).
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 agm010901323
data_agm010901323
_cell_length_a 6.01857
_cell_length_b 7.34369
_cell_length_c 9.47269
_cell_angle_alpha 72.13593
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 398.49270
_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 0.25000 0.74004 0.99127 1.00000
K2 K 0.75000 0.25996 0.00873 1.00000
Ba1 Ba 0.75000 0.19370 0.47289 1.00000
Ba2 Ba 0.25000 0.80630 0.52711 1.00000
Y1 Y 0.25000 0.21132 0.73370 1.00000
Y2 Y 0.75000 0.78868 0.26630 1.00000
Ge1 Ge 0.25000 0.12268 0.16495 1.00000
Ge2 Ge 0.75000 0.87732 0.83505 1.00000
Ge3 Ge 0.25000 0.42850 0.32975 1.00000
Ge4 Ge 0.75000 0.57150 0.67025 1.00000
O1 O 0.25000 0.37283 0.15521 1.00000
O2 O 0.75000 0.62717 0.84479 1.00000
O3 O 0.00978 0.01944 0.26654 1.00000
O4 O 0.50978 0.98056 0.73346 1.00000
O5 O 0.99022 0.98056 0.73346 1.00000
O6 O 0.49022 0.01944 0.26654 1.00000
O7 O 0.25000 0.12662 0.97958 1.00000
O8 O 0.75000 0.87338 0.02042 1.00000
O9 O 0.25000 0.21649 0.48204 1.00000
O10 O 0.75000 0.78351 0.51796 1.00000
O11 O 0.49329 0.56115 0.32413 1.00000
O12 O 0.99329 0.43885 0.67587 1.00000
O13 O 0.50671 0.43885 0.67587 1.00000
O14 O 0.00671 0.56115 0.32413 1.00000
