Na11Ta2VGe4As2O25F
Alexandria ALEXAlex-ID: agm010259587 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E4F11G25_0_spg1
NaV(GeO3)2 NaTaGeO5 Na3V3O8 Na3VO4 Na4Ge9O20 Na3AsO4 NaF
2024-07-29 21:36:48.551315
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010259587).
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 agm010259587
data_agm010259587
_cell_length_a 5.68298
_cell_length_b 7.42717
_cell_length_c 15.07475
_cell_angle_alpha 92.01396
_cell_angle_beta 95.27129
_cell_angle_gamma 91.16040
_cell_volume 633.02289
_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 0.48395 0.75077 0.49717 1.00000
Na2 Na 0.49497 0.25562 0.49400 1.00000
Na3 Na 0.76185 0.76308 0.92433 1.00000
Na4 Na 0.24193 0.23707 0.07569 1.00000
Na5 Na 0.82244 0.51194 0.10464 1.00000
Na6 Na 0.18116 0.48741 0.89581 1.00000
Na7 Na 0.28223 0.50577 0.26567 1.00000
Na8 Na 0.71590 0.49564 0.73602 1.00000
Na9 Na 0.81483 0.99640 0.13665 1.00000
Na10 Na 0.18778 0.00337 0.86324 1.00000
Na11 Na 0.99591 0.00165 0.49999 1.00000
Ta1 Ta 0.30210 0.98974 0.28438 1.00000
Ta2 Ta 0.70003 0.00893 0.71468 1.00000
V1 V 0.97386 0.50054 0.50755 1.00000
Ge1 Ge 0.79436 0.70719 0.31779 1.00000
Ge2 Ge 0.21022 0.29283 0.68210 1.00000
Ge3 Ge 0.17416 0.72580 0.69285 1.00000
Ge4 Ge 0.82959 0.27377 0.30811 1.00000
As1 As 0.32093 0.75490 0.06889 1.00000
As2 As 0.68297 0.24432 0.93129 1.00000
O1 O 0.62054 0.75766 0.06151 1.00000
O2 O 0.38321 0.24146 0.93858 1.00000
O3 O 0.83612 0.70347 0.43282 1.00000
O4 O 0.16752 0.30274 0.56707 1.00000
O5 O 0.17655 0.77196 0.96417 1.00000
O6 O 0.82684 0.22749 0.03619 1.00000
O7 O 0.25492 0.94494 0.13393 1.00000
O8 O 0.75039 0.05513 0.86618 1.00000
O9 O 0.50753 0.77621 0.28178 1.00000
O10 O 0.49537 0.22257 0.71879 1.00000
O11 O 0.91962 0.79723 0.74419 1.00000
O12 O 0.08311 0.20202 0.25615 1.00000
O13 O 0.23218 0.55617 0.11287 1.00000
O14 O 0.77162 0.44365 0.88781 1.00000
O15 O 0.79863 0.49157 0.25971 1.00000
O16 O 0.20566 0.50763 0.74113 1.00000
O17 O 0.67744 0.98296 0.59451 1.00000
O18 O 0.31782 0.01314 0.40482 1.00000
O19 O 0.42614 0.84844 0.74267 1.00000
O20 O 0.57715 0.15057 0.25847 1.00000
O21 O 0.00708 0.83366 0.26846 1.00000
O22 O 0.99545 0.16419 0.72922 1.00000
O23 O 0.15966 0.71081 0.57718 1.00000
O24 O 0.84004 0.28718 0.42345 1.00000
O25 O 0.74971 0.49276 0.57408 1.00000
F1 F 0.24856 0.50764 0.42343 1.00000
