Ba2Sm2Hf2Ni(Ge4O13)2
Alexandria ALEXAlex-ID: agm010285331 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E8F26_0_spg5
BaHf(GeO3)3 BaGeO3 Sm2Ge2O7 Ni2GeO4 HfO2
2025-01-07 22:17:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010285331).
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 agm010285331
data_agm010285331
_cell_length_a 7.58533
_cell_length_b 7.58533
_cell_length_c 12.08142
_cell_angle_alpha 75.83778
_cell_angle_beta 104.16222
_cell_angle_gamma 95.40937
_cell_volume 653.08226
_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
Ba1 Ba 0.99014 0.49766 0.99686 1.00000
Ba2 Ba 0.49766 0.99014 0.00314 1.00000
Sm1 Sm 0.18134 0.80416 0.45810 1.00000
Sm2 Sm 0.80416 0.18134 0.54190 1.00000
Hf1 Hf 0.04691 0.95004 0.13351 1.00000
Hf2 Hf 0.95004 0.04691 0.86649 1.00000
Ni1 Ni 0.40434 0.40434 0.50000 1.00000
Ge1 Ge 0.79671 0.19177 0.24745 1.00000
Ge2 Ge 0.19177 0.79671 0.75255 1.00000
Ge3 Ge 0.37088 0.61877 0.23987 1.00000
Ge4 Ge 0.61877 0.37088 0.76013 1.00000
Ge5 Ge 0.81395 0.58097 0.29928 1.00000
Ge6 Ge 0.39720 0.20330 0.27951 1.00000
Ge7 Ge 0.20330 0.39720 0.72049 1.00000
Ge8 Ge 0.58097 0.81395 0.70072 1.00000
O1 O 0.86557 0.86557 0.00000 1.00000
O2 O 0.13206 0.13206 0.00000 1.00000
O3 O 0.88403 0.09117 0.39286 1.00000
O4 O 0.09117 0.88403 0.60714 1.00000
O5 O 0.24332 0.77806 0.12646 1.00000
O6 O 0.77806 0.24332 0.87354 1.00000
O7 O 0.85881 0.47685 0.44657 1.00000
O8 O 0.50818 0.25361 0.41389 1.00000
O9 O 0.25361 0.50818 0.58611 1.00000
O10 O 0.47685 0.85881 0.55343 1.00000
O11 O 0.83848 0.43533 0.20658 1.00000
O12 O 0.55180 0.14947 0.20352 1.00000
O13 O 0.14947 0.55180 0.79648 1.00000
O14 O 0.43533 0.83848 0.79342 1.00000
O15 O 0.29338 0.41138 0.19061 1.00000
O16 O 0.59769 0.68214 0.22475 1.00000
O17 O 0.68214 0.59769 0.77525 1.00000
O18 O 0.41138 0.29338 0.80939 1.00000
O19 O 0.96961 0.76571 0.27646 1.00000
O20 O 0.22892 0.02958 0.28531 1.00000
O21 O 0.02958 0.22892 0.71469 1.00000
O22 O 0.76571 0.96961 0.72354 1.00000
O23 O 0.33242 0.61200 0.37682 1.00000
O24 O 0.61200 0.33242 0.62318 1.00000
O25 O 0.86037 0.13258 0.13238 1.00000
O26 O 0.13258 0.86037 0.86762 1.00000
