NaVGe(PO4)3
Alexandria ALEXAlex-ID: agm010957211 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E12_0_spg161
NaV2(PO4)3 NaGe2(PO4)3
2024-12-19 13:36:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010957211).
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 agm010957211
data_agm010957211
_cell_length_a 8.73186
_cell_length_b 8.73186
_cell_length_c 8.73186
_cell_angle_alpha 58.01390
_cell_angle_beta 58.01390
_cell_angle_gamma 58.01390
_cell_volume 449.31967
_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 0.49907 0.49907 0.49907 1.00000
Na2 Na 0.99907 0.99907 0.99907 1.00000
V1 V 0.35608 0.35608 0.35608 1.00000
V2 V 0.85608 0.85608 0.85608 1.00000
Ge1 Ge 0.64568 0.64568 0.64568 1.00000
Ge2 Ge 0.14568 0.14568 0.14568 1.00000
P1 P 0.53200 0.95985 0.25816 1.00000
P2 P 0.95985 0.25816 0.53200 1.00000
P3 P 0.25816 0.53200 0.95985 1.00000
P4 P 0.03200 0.75816 0.45985 1.00000
P5 P 0.75816 0.45985 0.03200 1.00000
P6 P 0.45985 0.03200 0.75816 1.00000
O1 O 0.50766 0.13066 0.28842 1.00000
O2 O 0.13066 0.28842 0.50766 1.00000
O3 O 0.28842 0.50766 0.13066 1.00000
O4 O 0.00766 0.78842 0.63066 1.00000
O5 O 0.78842 0.63066 0.00766 1.00000
O6 O 0.63066 0.00766 0.78842 1.00000
O7 O 0.48650 0.85775 0.73028 1.00000
O8 O 0.85775 0.73028 0.48650 1.00000
O9 O 0.73028 0.48650 0.85775 1.00000
O10 O 0.98650 0.23028 0.35775 1.00000
O11 O 0.23028 0.35775 0.98650 1.00000
O12 O 0.35775 0.98650 0.23028 1.00000
O13 O 0.43292 0.21887 0.58348 1.00000
O14 O 0.21887 0.58348 0.43292 1.00000
O15 O 0.58348 0.43292 0.21887 1.00000
O16 O 0.93292 0.08348 0.71887 1.00000
O17 O 0.08348 0.71887 0.93292 1.00000
O18 O 0.71887 0.93292 0.08348 1.00000
O19 O 0.55166 0.77604 0.43760 1.00000
O20 O 0.77604 0.43760 0.55166 1.00000
O21 O 0.43760 0.55166 0.77604 1.00000
O22 O 0.05166 0.93760 0.27604 1.00000
O23 O 0.93760 0.27604 0.05166 1.00000
O24 O 0.27604 0.05166 0.93760 1.00000
