Li2Mo2P2O11
Alexandria ALEXAlex-ID: agm005243089 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C2D11_18_spg1
LiMo2(PO4)3 Li3Mo3P3O17 MoO2 Li3PO4
2023-05-07 13:38:09.874450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243089).
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 agm005243089
data_agm005243089
_cell_length_a 5.17790
_cell_length_b 6.41169
_cell_length_c 8.45308
_cell_angle_alpha 94.07561
_cell_angle_beta 107.02704
_cell_angle_gamma 87.45749
_cell_volume 267.57346
_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 0.83373 0.36752 0.46238 1.00000
Li2 Li 0.05893 0.97172 0.66250 1.00000
Mo1 Mo 0.45792 0.47117 0.73084 1.00000
Mo2 Mo 0.56408 0.00499 0.25221 1.00000
P1 P 0.41197 0.50730 0.13729 1.00000
P2 P 0.59622 0.97669 0.83861 1.00000
O1 O 0.19642 0.46233 0.54517 1.00000
O2 O 0.79286 0.04275 0.45447 1.00000
O3 O 0.50471 0.49138 0.96703 1.00000
O4 O 0.58104 0.99219 0.01866 1.00000
O5 O 0.76246 0.45113 0.68262 1.00000
O6 O 0.23902 0.02168 0.26524 1.00000
O7 O 0.87627 0.96596 0.82392 1.00000
O8 O 0.41141 0.16053 0.74566 1.00000
O9 O 0.41602 0.78681 0.74358 1.00000
O10 O 0.60199 0.70164 0.23776 1.00000
O11 O 0.59724 0.32021 0.23666 1.00000
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