Na11V2FeGe4As2(O12F)2
Alexandria ALEXAlex-ID: agm010223076 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E4F11G24_0_spg2
Na4As2O7 Na3V3(FeO6)2 Na4Ge9O20 NaVO3 Na3AsO4 NaF
2024-10-31 11:26:52.586956
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010223076).
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 agm010223076
data_agm010223076
_cell_length_a 5.58681
_cell_length_b 7.28616
_cell_length_c 15.17262
_cell_angle_alpha 92.10642
_cell_angle_beta 95.52801
_cell_angle_gamma 90.82012
_cell_volume 614.23659
_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 0.24627 0.73360 0.07255 1.00000
Na2 Na 0.75373 0.26640 0.92745 1.00000
Na3 Na 0.29071 0.99898 0.26273 1.00000
Na4 Na 0.70929 0.00102 0.73727 1.00000
Na5 Na 0.82017 0.00614 0.10645 1.00000
Na6 Na 0.17983 0.99386 0.89355 1.00000
Na7 Na 0.00000 0.50000 0.50000 1.00000
Na8 Na 0.82373 0.49879 0.13757 1.00000
Na9 Na 0.17627 0.50121 0.86243 1.00000
Na10 Na 0.50123 0.23533 0.50572 1.00000
Na11 Na 0.49877 0.76467 0.49428 1.00000
V1 V 0.30189 0.49090 0.28492 1.00000
V2 V 0.69811 0.50910 0.71508 1.00000
Fe1 Fe 0.00000 0.00000 0.50000 1.00000
Ge1 Ge 0.17429 0.23236 0.69177 1.00000
Ge2 Ge 0.82571 0.76764 0.30823 1.00000
Ge3 Ge 0.79289 0.21478 0.31766 1.00000
Ge4 Ge 0.20711 0.78522 0.68234 1.00000
As1 As 0.32057 0.25722 0.07227 1.00000
As2 As 0.67943 0.74278 0.92773 1.00000
O1 O 0.01486 0.33956 0.27058 1.00000
O2 O 0.98514 0.66044 0.72942 1.00000
O3 O 0.83637 0.20541 0.43249 1.00000
O4 O 0.16363 0.79459 0.56751 1.00000
O5 O 0.25009 0.44868 0.13672 1.00000
O6 O 0.74991 0.55132 0.86328 1.00000
O7 O 0.20841 0.00774 0.73816 1.00000
O8 O 0.79159 0.99226 0.26184 1.00000
O9 O 0.32315 0.51930 0.39557 1.00000
O10 O 0.67685 0.48070 0.60443 1.00000
O11 O 0.49946 0.28337 0.28071 1.00000
O12 O 0.50054 0.71663 0.71929 1.00000
O13 O 0.56386 0.64878 0.25823 1.00000
O14 O 0.43614 0.35122 0.74177 1.00000
O15 O 0.62516 0.25836 0.06521 1.00000
O16 O 0.37484 0.74164 0.93479 1.00000
O17 O 0.23345 0.05192 0.11385 1.00000
O18 O 0.76655 0.94808 0.88615 1.00000
O19 O 0.17719 0.27461 0.96712 1.00000
O20 O 0.82281 0.72539 0.03288 1.00000
O21 O 0.08464 0.69923 0.25667 1.00000
O22 O 0.91536 0.30077 0.74333 1.00000
O23 O 0.15826 0.21680 0.57644 1.00000
O24 O 0.84174 0.78320 0.42356 1.00000
F1 F 0.27292 0.00489 0.42323 1.00000
F2 F 0.72708 0.99511 0.57677 1.00000
