KLiMgP3HO10
Alexandria ALEXAlex-ID: agm006347100 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE3F10_1_spg9
KP(HO2)2 KLiMgP2O7 LiMgP2HO7 KMg(PO3)3 KLi(PO3)2
2024-12-25 03:49:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006347100).
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 agm006347100
data_agm006347100
_cell_length_a 7.34991
_cell_length_b 7.34991
_cell_length_c 9.34843
_cell_angle_alpha 74.59937
_cell_angle_beta 105.40063
_cell_angle_gamma 104.41209
_cell_volume 460.67282
_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
K1 K 0.52142 0.54344 0.70587 1.00000
K2 K 0.45656 0.47858 0.20587 1.00000
Li1 Li 0.14242 0.07680 0.48007 1.00000
Li2 Li 0.92320 0.85758 0.98007 1.00000
Mg1 Mg 0.49640 0.00177 0.00333 1.00000
Mg2 Mg 0.99823 0.50360 0.50333 1.00000
P1 P 0.15233 0.71511 0.81434 1.00000
P2 P 0.12650 0.12200 0.75000 1.00000
P3 P 0.28489 0.84767 0.31434 1.00000
P4 P 0.71370 0.15065 0.69140 1.00000
P5 P 0.87800 0.87350 0.25000 1.00000
P6 P 0.84935 0.28630 0.19140 1.00000
H1 H 0.51412 0.00267 0.51509 1.00000
H2 H 0.99733 0.48588 0.01510 1.00000
O1 O 0.12321 0.92881 0.69790 1.00000
O2 O 0.07119 0.87679 0.19790 1.00000
O3 O 0.13196 0.58848 0.70605 1.00000
O4 O 0.35063 0.74940 0.91742 1.00000
O5 O 0.01514 0.36227 0.09990 1.00000
O6 O 0.25060 0.64937 0.41742 1.00000
O7 O 0.13965 0.26841 0.60268 1.00000
O8 O 0.26853 0.14161 0.89524 1.00000
O9 O 0.41152 0.86804 0.20605 1.00000
O10 O 0.63773 0.98486 0.59990 1.00000
O11 O 0.33118 0.01402 0.39908 1.00000
O12 O 0.59851 0.13275 0.80654 1.00000
O13 O 0.73159 0.86035 0.10268 1.00000
O14 O 0.85839 0.73147 0.39524 1.00000
O15 O 0.75542 0.34821 0.59260 1.00000
O16 O 0.98598 0.66882 0.89908 1.00000
O17 O 0.65179 0.24458 0.09260 1.00000
O18 O 0.86725 0.40149 0.30654 1.00000
O19 O 0.91951 0.08707 0.79335 1.00000
O20 O 0.91293 0.08049 0.29335 1.00000
