LiTi2Zn2(PO5)2
Alexandria ALEXAlex-ID: agm005288422 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E10_29_spg1
Zn3(PO4)2 LiZnPO4 ZnP2 TiO2
2023-05-07 11:31:40.756585
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288422).
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 agm005288422
data_agm005288422
_cell_length_a 5.49568
_cell_length_b 5.70674
_cell_length_c 7.53339
_cell_angle_alpha 109.13601
_cell_angle_beta 109.05913
_cell_angle_gamma 92.71650
_cell_volume 207.79507
_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
Li1 Li 0.66882 0.33064 0.36614 1.00000
Ti1 Ti 0.50902 0.97677 0.50396 1.00000
Ti2 Ti 0.48187 0.99423 0.98949 1.00000
Zn1 Zn 0.23540 0.34244 0.72937 1.00000
Zn2 Zn 0.81639 0.70698 0.20077 1.00000
P1 P 0.85255 0.61295 0.74897 1.00000
P2 P 0.14645 0.37740 0.26480 1.00000
O1 O 0.71304 0.69253 0.90336 1.00000
O2 O 0.73953 0.70449 0.57294 1.00000
O3 O 0.29711 0.28860 0.12263 1.00000
O4 O 0.24810 0.27422 0.43827 1.00000
O5 O 0.18441 0.67490 0.34566 1.00000
O6 O 0.83862 0.31285 0.16336 1.00000
O7 O 0.82462 0.31776 0.65328 1.00000
O8 O 0.15765 0.69260 0.85469 1.00000
O9 O 0.59262 0.94415 0.25849 1.00000
O10 O 0.41965 0.07631 0.74889 1.00000
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