Li2VCrP2(HO5)2
Alexandria ALEXAlex-ID: agm005232272 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E2F10_7_spg2
Li2VCrP2(HO5)2
2022-12-13 07:10:06.132192
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005232272).
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 agm005232272
data_agm005232272
_cell_length_a 6.94762
_cell_length_b 7.37324
_cell_length_c 7.99029
_cell_angle_alpha 90.95226
_cell_angle_beta 92.80852
_cell_angle_gamma 117.35544
_cell_volume 362.75164
_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 0.06890 0.82278 0.67511 1.00000
Li2 Li 0.43110 0.17192 0.82490 1.00000
Li3 Li 0.56890 0.82808 0.17510 1.00000
Li4 Li 0.93110 0.17722 0.32489 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
V2 V 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.00000 0.50000 0.00000 1.00000
Cr2 Cr 0.50000 0.00000 0.50000 1.00000
P1 P 0.47972 0.76857 0.84229 1.00000
P2 P 0.01653 0.23040 0.65833 1.00000
P3 P 0.98347 0.76960 0.34167 1.00000
P4 P 0.52028 0.23143 0.15771 1.00000
H1 H 0.78581 0.65384 0.85268 1.00000
H2 H 0.28871 0.66151 0.34990 1.00000
H3 H 0.71129 0.33849 0.65010 1.00000
H4 H 0.21419 0.34616 0.14732 1.00000
O1 O 0.32233 0.66233 0.98117 1.00000
O2 O 0.11157 0.11647 0.77216 1.00000
O3 O 0.38685 0.88203 0.72542 1.00000
O4 O 0.68767 0.92846 0.94201 1.00000
O5 O 0.19158 0.93066 0.44075 1.00000
O6 O 0.53177 0.61848 0.74081 1.00000
O7 O 0.17380 0.34035 0.51968 1.00000
O8 O 0.03585 0.62098 0.23793 1.00000
O9 O 0.94016 0.71969 0.89599 1.00000
O10 O 0.44200 0.72526 0.39608 1.00000
O11 O 0.55800 0.27474 0.60392 1.00000
O12 O 0.05984 0.28031 0.10401 1.00000
O13 O 0.96415 0.37902 0.76207 1.00000
O14 O 0.82620 0.65965 0.48032 1.00000
O15 O 0.46823 0.38152 0.25919 1.00000
O16 O 0.80842 0.06934 0.55925 1.00000
O17 O 0.31233 0.07154 0.05799 1.00000
O18 O 0.61315 0.11797 0.27458 1.00000
O19 O 0.88843 0.88353 0.22784 1.00000
O20 O 0.67767 0.33767 0.01883 1.00000
