LiMnH4(SO5)2
Alexandria ALEXAlex-ID: agm006220171 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E10_79_spg1
H10SO8 LiHSO4 MnH2SO5 Li2Mn(SO4)2 LiO8
2024-01-29 10:50:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220171).
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 agm006220171
data_agm006220171
_cell_length_a 5.66934
_cell_length_b 7.78358
_cell_length_c 10.12203
_cell_angle_alpha 105.17881
_cell_angle_beta 94.56229
_cell_angle_gamma 111.56906
_cell_volume 393.12801
_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
H1 H 0.61370 0.40425 0.81473 1.00000
H2 H 0.32753 0.30265 0.72733 1.00000
H3 H 0.44492 0.66273 0.58835 1.00000
H4 H 0.47828 0.67101 0.74892 1.00000
H5 H 0.52319 0.33182 0.25546 1.00000
H6 H 0.54966 0.32159 0.41306 1.00000
H7 H 0.76744 0.78525 0.23097 1.00000
H8 H 0.51156 0.69397 0.28590 1.00000
S1 S 0.81421 0.24328 0.07075 1.00000
S2 S 0.17568 0.78427 0.43540 1.00000
S3 S 0.87292 0.24208 0.56993 1.00000
S4 S 0.16087 0.75541 0.91564 1.00000
Mn1 Mn 0.50545 0.02216 0.74858 1.00000
Mn2 Mn 0.49564 0.99895 0.24466 1.00000
O1 O 0.71264 0.08526 0.93175 1.00000
O2 O 0.44175 0.30059 0.80706 1.00000
O3 O 0.08629 0.36257 0.08381 1.00000
O4 O 0.56303 0.73244 0.68105 1.00000
O5 O 0.32607 0.66346 0.42046 1.00000
O6 O 0.18150 0.86225 0.31170 1.00000
O7 O 0.79896 0.13368 0.17793 1.00000
O8 O 0.15498 0.33504 0.59173 1.00000
O9 O 0.29653 0.96060 0.56456 1.00000
O10 O 0.32668 0.64591 0.90034 1.00000
O11 O 0.65238 0.35481 0.09667 1.00000
O12 O 0.75756 0.07775 0.43792 1.00000
O13 O 0.90505 0.68102 0.44081 1.00000
O14 O 0.18573 0.85414 0.79873 1.00000
O15 O 0.82181 0.16118 0.69282 1.00000
O16 O 0.74980 0.38199 0.57427 1.00000
O17 O 0.44622 0.25277 0.31576 1.00000
O18 O 0.88471 0.63306 0.89042 1.00000
O19 O 0.57858 0.74365 0.20870 1.00000
O20 O 0.24538 0.91108 0.05233 1.00000
Li1 Li 0.39688 0.46045 0.00195 1.00000
Li2 Li 0.86385 0.66968 0.64254 1.00000
