Li2VFeP2(HO5)2
Alexandria ALEXAlex-ID: agm005268767 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E2F10_5_spg1
Li2VFeP2(HO5)2
2022-12-13 07:24:55.914386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005268767).
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 agm005268767
data_agm005268767
_cell_length_a 6.92979
_cell_length_b 7.49415
_cell_length_c 7.80272
_cell_angle_alpha 117.03607
_cell_angle_beta 92.19538
_cell_angle_gamma 90.59103
_cell_volume 360.49559
_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 0.15922 0.58444 0.76696 1.00000
Li2 Li 0.34282 0.91518 0.73525 1.00000
Li3 Li 0.65404 0.08916 0.26091 1.00000
Li4 Li 0.84340 0.41242 0.23703 1.00000
V1 V 0.00035 0.99895 0.00258 1.00000
V2 V 0.75106 0.25091 0.75020 1.00000
Fe1 Fe 0.24901 0.74889 0.25012 1.00000
Fe2 Fe 0.49959 0.50108 0.49770 1.00000
P1 P 0.59282 0.72663 0.96045 1.00000
P2 P 0.10112 0.22464 0.45686 1.00000
P3 P 0.90542 0.77285 0.54078 1.00000
P4 P 0.40062 0.27587 0.04202 1.00000
H1 H 0.04116 0.32342 0.98201 1.00000
H2 H 0.53488 0.81485 0.46094 1.00000
H3 H 0.46116 0.18054 0.52024 1.00000
H4 H 0.96352 0.68026 0.03674 1.00000
O1 O 0.05385 0.82726 0.71485 1.00000
O2 O 0.00806 0.68753 0.34729 1.00000
O3 O 0.44504 0.67044 0.78602 1.00000
O4 O 0.72281 0.90641 0.98227 1.00000
O5 O 0.08451 0.75498 0.04295 1.00000
O6 O 0.23040 0.40187 0.47062 1.00000
O7 O 0.41326 0.74324 0.45869 1.00000
O8 O 0.72200 0.54877 0.93013 1.00000
O9 O 0.49916 0.19039 0.84737 1.00000
O10 O 0.77908 0.95222 0.57102 1.00000
O11 O 0.22808 0.04504 0.42656 1.00000
O12 O 0.49003 0.80992 0.15393 1.00000
O13 O 0.27059 0.45407 0.07306 1.00000
O14 O 0.58259 0.25847 0.53316 1.00000
O15 O 0.77288 0.59530 0.52106 1.00000
O16 O 0.92006 0.24320 0.96500 1.00000
O17 O 0.27397 0.09597 0.02538 1.00000
O18 O 0.55449 0.33348 0.21168 1.00000
O19 O 0.00209 0.31258 0.65113 1.00000
O20 O 0.94689 0.16874 0.28706 1.00000
