Li2VNiP2(HO5)2
Alexandria ALEXAlex-ID: agm006273656 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E2F10_24_spg2
LiVPO5 LiNiPO4 H2O
2025-02-07 04:22:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006273656).
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 agm006273656
data_agm006273656
_cell_length_a 6.92624
_cell_length_b 7.36200
_cell_length_c 7.95209
_cell_angle_alpha 91.18351
_cell_angle_beta 92.79146
_cell_angle_gamma 117.44341
_cell_volume 359.00196
_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 0.07585 0.82328 0.67544 1.00000
Li2 Li 0.43664 0.17593 0.82108 1.00000
Li3 Li 0.56336 0.82407 0.17892 1.00000
Li4 Li 0.92415 0.17672 0.32456 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
V2 V 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.00000 0.50000 0.00000 1.00000
Ni2 Ni 0.50000 0.00000 0.50000 1.00000
P1 P 0.48176 0.77236 0.84121 1.00000
P2 P 0.01647 0.23419 0.65868 1.00000
P3 P 0.98353 0.76581 0.34132 1.00000
P4 P 0.51824 0.22764 0.15879 1.00000
H1 H 0.78846 0.65830 0.86074 1.00000
H2 H 0.28431 0.64957 0.35446 1.00000
H3 H 0.71569 0.35043 0.64554 1.00000
H4 H 0.21154 0.34170 0.13926 1.00000
O1 O 0.34089 0.65974 0.98480 1.00000
O2 O 0.11300 0.12593 0.78307 1.00000
O3 O 0.38739 0.88854 0.73441 1.00000
O4 O 0.70283 0.93551 0.93410 1.00000
O5 O 0.18178 0.92877 0.44526 1.00000
O6 O 0.53614 0.62760 0.72833 1.00000
O7 O 0.18771 0.34139 0.52436 1.00000
O8 O 0.03338 0.61098 0.24680 1.00000
O9 O 0.94466 0.73398 0.89852 1.00000
O10 O 0.43998 0.71089 0.39819 1.00000
O11 O 0.56002 0.28911 0.60181 1.00000
O12 O 0.05534 0.26602 0.10148 1.00000
O13 O 0.96662 0.38902 0.75320 1.00000
O14 O 0.81229 0.65861 0.47564 1.00000
O15 O 0.46386 0.37240 0.27167 1.00000
O16 O 0.81822 0.07123 0.55474 1.00000
O17 O 0.29717 0.06449 0.06590 1.00000
O18 O 0.61261 0.11146 0.26559 1.00000
O19 O 0.88700 0.87407 0.21693 1.00000
O20 O 0.65911 0.34026 0.01520 1.00000
