KIn(PO3)4
Alexandria ALEXAlex-ID: agm022016879 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_62_spg12
KIn(PO3)4
2024-09-05 12:06:40.618742
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022016879).
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 agm022016879
data_agm022016879
_cell_length_a 10.74542
_cell_length_b 10.74542
_cell_length_c 5.47152
_cell_angle_alpha 80.57055
_cell_angle_beta 80.57055
_cell_angle_gamma 71.23684
_cell_volume 585.91494
_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 0.40968 0.40968 0.21616 1.00000
K2 K 0.59032 0.59032 0.78384 1.00000
In1 In 0.50000 0.00000 0.50000 1.00000
In2 In 0.00000 0.50000 0.50000 1.00000
P1 P 0.79205 0.35669 0.33549 1.00000
P2 P 0.06434 0.29951 0.04644 1.00000
P3 P 0.29951 0.06434 0.04644 1.00000
P4 P 0.64331 0.20795 0.66451 1.00000
P5 P 0.35669 0.79205 0.33549 1.00000
P6 P 0.70049 0.93566 0.95356 1.00000
P7 P 0.93566 0.70049 0.95356 1.00000
P8 P 0.20795 0.64331 0.66451 1.00000
O1 O 0.43403 0.83260 0.50185 1.00000
O2 O 0.38519 0.10354 0.19502 1.00000
O3 O 0.42571 0.67417 0.20458 1.00000
O4 O 0.16740 0.56597 0.49815 1.00000
O5 O 0.56597 0.16740 0.49815 1.00000
O6 O 0.91984 0.66873 0.23249 1.00000
O7 O 0.22021 0.77979 0.50000 1.00000
O8 O 0.57429 0.32583 0.79542 1.00000
O9 O 0.61481 0.89646 0.80498 1.00000
O10 O 0.70860 0.08133 0.85974 1.00000
O11 O 0.32583 0.57429 0.79542 1.00000
O12 O 0.89646 0.61481 0.80498 1.00000
O13 O 0.83260 0.43403 0.50185 1.00000
O14 O 0.08133 0.70860 0.85974 1.00000
O15 O 0.14695 0.14695 0.11571 1.00000
O16 O 0.10354 0.38519 0.19502 1.00000
O17 O 0.67417 0.42571 0.20458 1.00000
O18 O 0.29140 0.91867 0.14026 1.00000
O19 O 0.77979 0.22021 0.50000 1.00000
O20 O 0.33127 0.08016 0.76751 1.00000
O21 O 0.66873 0.91984 0.23249 1.00000
O22 O 0.85305 0.85305 0.88429 1.00000
O23 O 0.91867 0.29140 0.14026 1.00000
O24 O 0.08016 0.33127 0.76751 1.00000
