LiMo(PO3)4
Alexandria ALEXAlex-ID: agm005290926 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_2_spg15
Mo(PO3)3 LiPO3
2024-10-16 00:21:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290926).
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 agm005290926
data_agm005290926
_cell_length_a 9.86102
_cell_length_b 9.86102
_cell_length_c 11.38360
_cell_angle_alpha 40.16342
_cell_angle_beta 40.16342
_cell_angle_gamma 51.01340
_cell_volume 457.75344
_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 0.00000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.19742 0.80258 0.25000 1.00000
Mo2 Mo 0.80258 0.19742 0.75000 1.00000
P1 P 0.29848 0.26287 0.46591 1.00000
P2 P 0.49324 0.01276 0.29900 1.00000
P3 P 0.70152 0.73713 0.53409 1.00000
P4 P 0.50676 0.98724 0.70100 1.00000
P5 P 0.01276 0.49324 0.79900 1.00000
P6 P 0.26287 0.29848 0.96591 1.00000
P7 P 0.73713 0.70152 0.03409 1.00000
P8 P 0.98724 0.50676 0.20100 1.00000
O1 O 0.70066 0.01574 0.61972 1.00000
O2 O 0.11117 0.13418 0.67099 1.00000
O3 O 0.29934 0.98426 0.38028 1.00000
O4 O 0.88883 0.86582 0.32901 1.00000
O5 O 0.55921 0.80153 0.47293 1.00000
O6 O 0.05991 0.69307 0.57236 1.00000
O7 O 0.74585 0.50197 0.66372 1.00000
O8 O 0.54112 0.80174 0.70280 1.00000
O9 O 0.86582 0.88883 0.82901 1.00000
O10 O 0.49803 0.25415 0.83628 1.00000
O11 O 0.19826 0.45888 0.79720 1.00000
O12 O 0.98426 0.29934 0.88028 1.00000
O13 O 0.19847 0.44079 0.02707 1.00000
O14 O 0.30693 0.94009 0.92764 1.00000
O15 O 0.69307 0.05991 0.07236 1.00000
O16 O 0.80153 0.55921 0.97293 1.00000
O17 O 0.01574 0.70066 0.11972 1.00000
O18 O 0.80174 0.54112 0.20280 1.00000
O19 O 0.50197 0.74585 0.16372 1.00000
O20 O 0.13418 0.11117 0.17099 1.00000
O21 O 0.45888 0.19826 0.29720 1.00000
O22 O 0.25415 0.49803 0.33628 1.00000
O23 O 0.94009 0.30693 0.42764 1.00000
O24 O 0.44079 0.19847 0.52707 1.00000
