Na11HfTa2Ge4P2(O12F)2
Alexandria ALEXAlex-ID: agm010222391 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E4F11G24_0_spg2
Na2HfGe2O7 Na4Ge9O20 NaTaGeO5 Na4HfP2O9 NaF Na3PO4 Ge
2024-10-01 05:48:24.621606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010222391).
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 agm010222391
data_agm010222391
_cell_length_a 5.76796
_cell_length_b 7.39196
_cell_length_c 14.79756
_cell_angle_alpha 92.07500
_cell_angle_beta 94.97146
_cell_angle_gamma 91.38676
_cell_volume 627.89434
_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
Na1 Na 0.24117 0.73002 0.07951 1.00000
Na2 Na 0.75883 0.26998 0.92049 1.00000
Na3 Na 0.27324 0.00113 0.25375 1.00000
Na4 Na 0.72676 0.99887 0.74625 1.00000
Na5 Na 0.81332 0.01825 0.09131 1.00000
Na6 Na 0.18668 0.98175 0.90869 1.00000
Na7 Na 0.00000 0.50000 0.50000 1.00000
Na8 Na 0.79576 0.48716 0.12633 1.00000
Na9 Na 0.20424 0.51284 0.87367 1.00000
Na10 Na 0.48710 0.27196 0.49580 1.00000
Na11 Na 0.51290 0.72804 0.50420 1.00000
Hf1 Hf 0.00000 0.00000 0.50000 1.00000
Ta1 Ta 0.28587 0.48866 0.27791 1.00000
Ta2 Ta 0.71413 0.51134 0.72209 1.00000
Ge1 Ge 0.18493 0.23634 0.70304 1.00000
Ge2 Ge 0.81507 0.76366 0.29696 1.00000
Ge3 Ge 0.77608 0.20815 0.30949 1.00000
Ge4 Ge 0.22392 0.79185 0.69051 1.00000
P1 P 0.30585 0.25376 0.06373 1.00000
P2 P 0.69415 0.74624 0.93627 1.00000
O1 O 0.98409 0.34329 0.26302 1.00000
O2 O 0.01591 0.65671 0.73698 1.00000
O3 O 0.83121 0.20122 0.42819 1.00000
O4 O 0.16879 0.79878 0.57181 1.00000
O5 O 0.25241 0.42121 0.12824 1.00000
O6 O 0.74759 0.57879 0.87176 1.00000
O7 O 0.20526 0.00846 0.74770 1.00000
O8 O 0.79474 0.99154 0.25230 1.00000
O9 O 0.30912 0.51697 0.40200 1.00000
O10 O 0.69088 0.48303 0.59800 1.00000
O11 O 0.48971 0.27213 0.28131 1.00000
O12 O 0.51029 0.72787 0.71869 1.00000
O13 O 0.54898 0.65564 0.24689 1.00000
O14 O 0.45102 0.34436 0.75311 1.00000
O15 O 0.57218 0.25417 0.05350 1.00000
O16 O 0.42782 0.74583 0.94650 1.00000
O17 O 0.22424 0.07113 0.10199 1.00000
O18 O 0.77576 0.92887 0.89801 1.00000
O19 O 0.16675 0.27831 0.97019 1.00000
O20 O 0.83325 0.72169 0.02981 1.00000
O21 O 0.08098 0.70377 0.24637 1.00000
O22 O 0.91902 0.29623 0.75363 1.00000
O23 O 0.16399 0.20905 0.58155 1.00000
O24 O 0.83601 0.79095 0.41845 1.00000
F1 F 0.26870 0.01070 0.41879 1.00000
F2 F 0.73130 0.98930 0.58121 1.00000
