LiMnAs2O7
Alexandria ALEXAlex-ID: agm002158554 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_0_spg5
MnO2 Li3AsO4 Mn(AsO3)2 LiO8
2018-06-13 18:37:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002158554).
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
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# CIF generated by HEAS from Alexandria entry agm002158554
data_agm002158554
_cell_length_a 4.80969
_cell_length_b 5.30072
_cell_length_c 5.56218
_cell_angle_alpha 104.62159
_cell_angle_beta 95.21361
_cell_angle_gamma 99.35438
_cell_volume 134.09134
_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
As1 As 0.90424 0.18022 0.25336 1.00000
As2 As 0.09230 0.72806 0.80955 1.00000
Mn1 Mn 0.49253 0.62939 0.37844 1.00000
O1 O 0.22205 0.34198 0.44045 1.00000
O2 O 0.76850 0.94570 0.38890 1.00000
O3 O 0.01271 0.04382 0.96043 1.00000
O4 O 0.31758 0.86512 0.62694 1.00000
O5 O 0.67890 0.36433 0.15224 1.00000
O6 O 0.77212 0.53667 0.66716 1.00000
O7 O 0.27181 0.59849 0.00882 1.00000
Li1 Li 0.46727 0.29056 0.78934 1.00000
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