KBa2Dy2Cr2NiGe8HO27
Alexandria ALEXAlex-ID: agm006901637 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2F2G8H27_1_spg5
BaCrO4 Ni2GeO4 BaGeO3 BaDy4Ge5O17 BaGe4O9 CrHO2 K4Ge9O20 KCr3Ge2O9
2024-07-02 19:49:11.322812
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006901637).
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 agm006901637
data_agm006901637
_cell_length_a 7.43494
_cell_length_b 7.51451
_cell_length_c 11.97671
_cell_angle_alpha 105.02522
_cell_angle_beta 105.21432
_cell_angle_gamma 86.27663
_cell_volume 623.60687
_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 0.00707 0.97161 0.99250 1.00000
Ba1 Ba 0.79218 0.69835 0.50585 1.00000
Ba2 Ba 0.32654 0.24244 0.50373 1.00000
Dy1 Dy 0.15854 0.50942 0.04245 1.00000
Dy2 Dy 0.48037 0.83935 0.95835 1.00000
Cr1 Cr 0.25686 0.63425 0.36502 1.00000
Cr2 Cr 0.36217 0.74701 0.63701 1.00000
Ni1 Ni 0.67205 0.32842 0.99994 1.00000
Ge1 Ge 0.87871 0.85850 0.21787 1.00000
Ge2 Ge 0.13519 0.10851 0.78695 1.00000
Ge3 Ge 0.46642 0.90012 0.25725 1.00000
Ge4 Ge 0.11265 0.50508 0.73854 1.00000
Ge5 Ge 0.93371 0.30314 0.25390 1.00000
Ge6 Ge 0.67907 0.07185 0.74489 1.00000
Ge7 Ge 0.71879 0.50192 0.78866 1.00000
Ge8 Ge 0.50933 0.29387 0.21960 1.00000
H1 H 0.14879 0.92477 0.48102 1.00000
O1 O 0.10197 0.44316 0.36813 1.00000
O2 O 0.53754 0.92061 0.62212 1.00000
O3 O 0.05687 0.69210 0.22722 1.00000
O4 O 0.28894 0.92177 0.77853 1.00000
O5 O 0.14927 0.80433 0.49654 1.00000
O6 O 0.71154 0.83773 0.30005 1.00000
O7 O 0.15952 0.25941 0.69745 1.00000
O8 O 0.53232 0.17147 0.08039 1.00000
O9 O 0.84339 0.47783 0.92821 1.00000
O10 O 0.48250 0.52271 0.99553 1.00000
O11 O 0.99009 0.08222 0.29173 1.00000
O12 O 0.90637 0.00506 0.71718 1.00000
O13 O 0.73133 0.39459 0.30673 1.00000
O14 O 0.61038 0.28593 0.70260 1.00000
O15 O 0.17622 0.56092 0.62276 1.00000
O16 O 0.38700 0.84909 0.37110 1.00000
O17 O 0.86362 0.53880 0.69742 1.00000
O18 O 0.46041 0.14895 0.30608 1.00000
O19 O 0.76248 0.84208 0.07126 1.00000
O20 O 0.16047 0.22948 0.93342 1.00000
O21 O 0.43302 0.57635 0.49049 1.00000
O22 O 0.33721 0.83017 0.11002 1.00000
O23 O 0.19082 0.62874 0.88758 1.00000
O24 O 0.34738 0.47681 0.22517 1.00000
O25 O 0.54480 0.67088 0.78025 1.00000
O26 O 0.92829 0.30732 0.10969 1.00000
O27 O 0.67180 0.07886 0.88885 1.00000
