KLaP3HO10
Alexandria ALEXAlex-ID: agm006336007 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E10_9_spg2
KLaP3HO10
2024-12-28 01:24:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006336007).
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 agm006336007
data_agm006336007
_cell_length_a 7.19326
_cell_length_b 8.03192
_cell_length_c 8.70742
_cell_angle_alpha 74.40634
_cell_angle_beta 73.18344
_cell_angle_gamma 82.66890
_cell_volume 463.16047
_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 0.28488 0.26657 0.96706 1.00000
K2 K 0.71512 0.73343 0.03294 1.00000
La1 La 0.72565 0.63409 0.51405 1.00000
La2 La 0.27435 0.36591 0.48595 1.00000
P1 P 0.82824 0.30773 0.34143 1.00000
P2 P 0.82458 0.23564 0.81641 1.00000
P3 P 0.17542 0.76436 0.18359 1.00000
P4 P 0.35165 0.95207 0.36002 1.00000
P5 P 0.17176 0.69227 0.65857 1.00000
P6 P 0.64834 0.04793 0.63998 1.00000
H1 H 0.18713 0.79399 0.92100 1.00000
H2 H 0.81287 0.20601 0.07900 1.00000
O1 O 0.75290 0.15484 0.00791 1.00000
O2 O 0.96305 0.37101 0.41986 1.00000
O3 O 0.46050 0.15607 0.66760 1.00000
O4 O 0.36179 0.57594 0.63227 1.00000
O5 O 0.64199 0.85424 0.67316 1.00000
O6 O 0.77675 0.11063 0.45192 1.00000
O7 O 0.22150 0.92554 0.24673 1.00000
O8 O 0.08515 0.70886 0.83382 1.00000
O9 O 0.22325 0.88937 0.54808 1.00000
O10 O 0.53950 0.84393 0.33240 1.00000
O11 O 0.77850 0.07446 0.75327 1.00000
O12 O 0.35801 0.14576 0.32684 1.00000
O13 O 0.95787 0.74532 0.24144 1.00000
O14 O 0.91485 0.29114 0.16618 1.00000
O15 O 0.30446 0.60711 0.23718 1.00000
O16 O 0.69554 0.39289 0.76282 1.00000
O17 O 0.03695 0.62899 0.58014 1.00000
O18 O 0.63821 0.42406 0.36773 1.00000
O19 O 0.04213 0.25468 0.75856 1.00000
O20 O 0.24710 0.84516 0.99209 1.00000
