Be4Ge2H2O9
Alexandria ALEXAlex-ID: agm006373339 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C4D9_10_spg36
Be2GeO4 H2O
2024-12-03 05:52:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006373339).
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 agm006373339
data_agm006373339
_cell_length_a 9.04063
_cell_length_b 9.04063
_cell_length_c 4.71496
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.54165
_cell_volume 331.90195
_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
Be1 Be 0.71908 0.61193 0.49321 1.00000
Be2 Be 0.28092 0.38807 0.99321 1.00000
Be3 Be 0.61193 0.71908 0.99321 1.00000
Be4 Be 0.38807 0.28092 0.49321 1.00000
Be5 Be 0.04429 0.60644 0.49568 1.00000
Be6 Be 0.95571 0.39356 0.99568 1.00000
Be7 Be 0.60644 0.04429 0.99568 1.00000
Be8 Be 0.39356 0.95571 0.49568 1.00000
Ge1 Ge 0.06722 0.29091 0.49529 1.00000
Ge2 Ge 0.93278 0.70909 0.99529 1.00000
Ge3 Ge 0.29091 0.06722 0.99529 1.00000
Ge4 Ge 0.70909 0.93278 0.49529 1.00000
H1 H 0.36181 0.63819 0.18479 1.00000
H2 H 0.63819 0.36181 0.68479 1.00000
H3 H 0.29432 0.70568 0.70269 1.00000
H4 H 0.70568 0.29432 0.20269 1.00000
O1 O 0.08976 0.33763 0.12819 1.00000
O2 O 0.91024 0.66237 0.62819 1.00000
O3 O 0.33763 0.08976 0.62819 1.00000
O4 O 0.66237 0.91024 0.12819 1.00000
O5 O 0.26525 0.34194 0.65326 1.00000
O6 O 0.73475 0.65806 0.15326 1.00000
O7 O 0.34194 0.26525 0.15326 1.00000
O8 O 0.65806 0.73475 0.65326 1.00000
O9 O 0.99876 0.42447 0.65422 1.00000
O10 O 0.00124 0.57553 0.15422 1.00000
O11 O 0.42447 0.99876 0.15422 1.00000
O12 O 0.57553 0.00124 0.65422 1.00000
O13 O 0.07396 0.92604 0.07724 1.00000
O14 O 0.92604 0.07396 0.57724 1.00000
O15 O 0.40801 0.59199 0.04691 1.00000
O16 O 0.59199 0.40801 0.54691 1.00000
O17 O 0.24950 0.75050 0.55866 1.00000
O18 O 0.75050 0.24950 0.05866 1.00000
