LiV(CO3)2
Alexandria ALEXAlex-ID: agm005267388 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2833_spg4
LiV(CO3)2
2024-10-16 02:43:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267388).
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 agm005267388
data_agm005267388
_cell_length_a 4.62396
_cell_length_b 12.36261
_cell_length_c 7.21905
_cell_angle_alpha 101.35831
_cell_angle_beta 90.00048
_cell_angle_gamma 90.00011
_cell_volume 404.58909
_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 0.70822 0.41381 0.43982 1.00000
Li2 Li 0.70828 0.91382 0.43985 1.00000
Li3 Li 0.20829 0.08618 0.56014 1.00000
Li4 Li 0.20822 0.58618 0.56020 1.00000
V1 V 0.23751 0.63468 0.09042 1.00000
V2 V 0.73750 0.36532 0.90959 1.00000
V3 V 0.23755 0.13469 0.09039 1.00000
V4 V 0.73749 0.86536 0.90959 1.00000
C1 C 0.21565 0.38512 0.11980 1.00000
C2 C 0.21571 0.88512 0.11980 1.00000
C3 C 0.71571 0.11488 0.88020 1.00000
C4 C 0.71565 0.61488 0.88021 1.00000
C5 C 0.73731 0.13107 0.36316 1.00000
C6 C 0.73729 0.63107 0.36316 1.00000
C7 C 0.23729 0.36893 0.63685 1.00000
C8 C 0.23732 0.86892 0.63683 1.00000
O1 O 0.06905 0.46696 0.07469 1.00000
O2 O 0.06911 0.96696 0.07467 1.00000
O3 O 0.56912 0.03304 0.92532 1.00000
O4 O 0.56905 0.53304 0.92533 1.00000
O5 O 0.48423 0.39290 0.15926 1.00000
O6 O 0.48428 0.89291 0.15928 1.00000
O7 O 0.98428 0.10709 0.84072 1.00000
O8 O 0.98423 0.60710 0.84075 1.00000
O9 O 0.06295 0.29572 0.10791 1.00000
O10 O 0.06300 0.79572 0.10793 1.00000
O11 O 0.56301 0.20428 0.89207 1.00000
O12 O 0.56296 0.70428 0.89209 1.00000
O13 O 0.57748 0.18076 0.25920 1.00000
O14 O 0.57748 0.68076 0.25920 1.00000
O15 O 0.07748 0.31924 0.74081 1.00000
O16 O 0.07748 0.81923 0.74078 1.00000
O17 O 0.02043 0.13836 0.34452 1.00000
O18 O 0.02040 0.63837 0.34454 1.00000
O19 O 0.52040 0.36163 0.65548 1.00000
O20 O 0.52042 0.86164 0.65547 1.00000
O21 O 0.63408 0.07812 0.48280 1.00000
O22 O 0.63402 0.57812 0.48280 1.00000
O23 O 0.13402 0.42188 0.51721 1.00000
O24 O 0.13406 0.92188 0.51720 1.00000
