Na5Ti2Ge2PO13
Alexandria ALEXAlex-ID: agm010796480 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5E13_4_spg2
Na4TiP2O9 Na2Ti2Ge2O9 Na2TiGeO5 Na4Ge9O20
2024-09-22 07:26:48.391824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010796480).
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 agm010796480
data_agm010796480
_cell_length_a 5.53897
_cell_length_b 7.30871
_cell_length_c 14.82738
_cell_angle_alpha 100.12686
_cell_angle_beta 96.19566
_cell_angle_gamma 91.15203
_cell_volume 586.98082
_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 0.75587 0.25566 0.58217 1.00000
Na2 Na 0.24413 0.74434 0.41783 1.00000
Na3 Na 0.32406 0.54305 0.59845 1.00000
Na4 Na 0.67594 0.45695 0.40155 1.00000
Na5 Na 0.32091 0.03005 0.63135 1.00000
Na6 Na 0.67909 0.96995 0.36865 1.00000
Na7 Na 0.75625 0.86636 0.99979 1.00000
Na8 Na 0.17499 0.43374 0.23746 1.00000
Na9 Na 0.82501 0.56626 0.76254 1.00000
Na10 Na 0.24375 0.13364 0.00021 1.00000
Ti1 Ti 0.78034 0.38337 0.98672 1.00000
Ti2 Ti 0.21966 0.61663 0.01328 1.00000
Ti3 Ti 0.81216 0.07043 0.77441 1.00000
Ti4 Ti 0.18784 0.92957 0.22559 1.00000
Ge1 Ge 0.34992 0.35214 0.79975 1.00000
Ge2 Ge 0.29975 0.80314 0.82465 1.00000
Ge3 Ge 0.65008 0.64786 0.20025 1.00000
Ge4 Ge 0.70025 0.19686 0.17535 1.00000
P1 P 0.18267 0.22777 0.43111 1.00000
P2 P 0.81733 0.77223 0.56889 1.00000
O1 O 0.66572 0.76718 0.47399 1.00000
O2 O 0.33428 0.23282 0.52601 1.00000
O3 O 0.74445 0.59927 0.60931 1.00000
O4 O 0.25555 0.40073 0.39069 1.00000
O5 O 0.09269 0.77537 0.55859 1.00000
O6 O 0.90731 0.22463 0.44141 1.00000
O7 O 0.92351 0.57792 0.93358 1.00000
O8 O 0.07649 0.42208 0.06642 1.00000
O9 O 0.75934 0.95958 0.63425 1.00000
O10 O 0.24066 0.04042 0.36575 1.00000
O11 O 0.85714 0.18732 0.90213 1.00000
O12 O 0.14286 0.81268 0.09787 1.00000
O13 O 0.60201 0.27872 0.74112 1.00000
O14 O 0.39799 0.72128 0.25888 1.00000
O15 O 0.08933 0.21814 0.74664 1.00000
O16 O 0.91067 0.78186 0.25336 1.00000
O17 O 0.41486 0.39728 0.92163 1.00000
O18 O 0.58514 0.60272 0.07837 1.00000
O19 O 0.50821 0.94091 0.78437 1.00000
O20 O 0.49179 0.05909 0.21563 1.00000
O21 O 0.69997 0.42877 0.24066 1.00000
O22 O 0.30003 0.57123 0.75934 1.00000
O23 O 0.64374 0.19370 0.05696 1.00000
O24 O 0.35626 0.80630 0.94304 1.00000
O25 O 0.00061 0.13331 0.20103 1.00000
O26 O 0.99939 0.86669 0.79897 1.00000
