LiMnVP2(HO5)2
Alexandria ALEXAlex-ID: agm005270727 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2F10_32_spg2
LiVPO5 MnPH2O5
2024-10-19 09:53:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270727).
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 agm005270727
data_agm005270727
_cell_length_a 6.91516
_cell_length_b 7.44903
_cell_length_c 7.87697
_cell_angle_alpha 116.18796
_cell_angle_beta 89.60644
_cell_angle_gamma 90.39090
_cell_volume 364.09062
_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 0.21557 0.67872 0.76586 1.00000
Li2 Li 0.78443 0.32128 0.23414 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.50000 0.50000 0.50000 1.00000
V1 V 0.25215 0.74850 0.25044 1.00000
V2 V 0.74785 0.25150 0.74956 1.00000
P1 P 0.62125 0.72760 0.96174 1.00000
P2 P 0.12193 0.22247 0.46472 1.00000
P3 P 0.87807 0.77753 0.53528 1.00000
P4 P 0.37875 0.27240 0.03826 1.00000
H1 H 0.00650 0.32697 0.99719 1.00000
H2 H 0.48284 0.83483 0.51827 1.00000
H3 H 0.51716 0.16517 0.48173 1.00000
H4 H 0.99350 0.67303 0.00281 1.00000
O1 O 0.00371 0.80441 0.70230 1.00000
O2 O 0.00755 0.75370 0.36224 1.00000
O3 O 0.49238 0.69244 0.79406 1.00000
O4 O 0.74008 0.92236 0.02960 1.00000
O5 O 0.10704 0.76488 0.03089 1.00000
O6 O 0.24013 0.42061 0.54039 1.00000
O7 O 0.38915 0.72317 0.45851 1.00000
O8 O 0.76525 0.54968 0.91267 1.00000
O9 O 0.51026 0.24932 0.86657 1.00000
O10 O 0.73237 0.95312 0.58821 1.00000
O11 O 0.26763 0.04688 0.41179 1.00000
O12 O 0.48974 0.75068 0.13343 1.00000
O13 O 0.23475 0.45032 0.08733 1.00000
O14 O 0.61085 0.27683 0.54149 1.00000
O15 O 0.75987 0.57939 0.45961 1.00000
O16 O 0.89296 0.23512 0.96911 1.00000
O17 O 0.25992 0.07764 0.97040 1.00000
O18 O 0.50762 0.30756 0.20594 1.00000
O19 O 0.99245 0.24630 0.63776 1.00000
O20 O 0.99629 0.19559 0.29770 1.00000
