K3Tm(PO4)2
Alexandria ALEXAlex-ID: agm011664403 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_21_spg1
K3Tm(PO4)2
2025-01-03 07:20:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011664403).
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 agm011664403
data_agm011664403
_cell_length_a 9.72056
_cell_length_b 9.72056
_cell_length_c 7.87329
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 644.27271
_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 0.33407 0.33376 0.25769 1.00000
K2 K 0.99970 0.66593 0.25769 1.00000
K3 K 0.66624 0.00030 0.25769 1.00000
K4 K 0.66593 0.66624 0.74231 1.00000
K5 K 0.00030 0.33407 0.74231 1.00000
K6 K 0.33376 0.99970 0.74231 1.00000
K7 K 0.33333 0.66667 0.50441 1.00000
K8 K 0.66667 0.33333 0.49559 1.00000
K9 K 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.33333 0.66667 0.03394 1.00000
Tm2 Tm 0.66667 0.33333 0.96606 1.00000
Tm3 Tm 0.00000 0.00000 0.00000 1.00000
P1 P 0.32733 0.34101 0.77027 1.00000
P2 P 0.01369 0.67267 0.77027 1.00000
P3 P 0.65899 0.98631 0.77027 1.00000
P4 P 0.67267 0.65899 0.22973 1.00000
P5 P 0.98631 0.32733 0.22973 1.00000
P6 P 0.34101 0.01369 0.22973 1.00000
O1 O 0.33688 0.47723 0.88521 1.00000
O2 O 0.14035 0.66312 0.88521 1.00000
O3 O 0.52277 0.85965 0.88521 1.00000
O4 O 0.66312 0.52277 0.11479 1.00000
O5 O 0.85965 0.33688 0.11479 1.00000
O6 O 0.47723 0.14035 0.11479 1.00000
O7 O 0.48477 0.33570 0.79044 1.00000
O8 O 0.85093 0.51523 0.79044 1.00000
O9 O 0.66430 0.14907 0.79044 1.00000
O10 O 0.51523 0.66430 0.20956 1.00000
O11 O 0.14907 0.48477 0.20956 1.00000
O12 O 0.33570 0.85093 0.20956 1.00000
O13 O 0.18600 0.17850 0.83209 1.00000
O14 O 0.99250 0.81400 0.83209 1.00000
O15 O 0.82150 0.00750 0.83209 1.00000
O16 O 0.81400 0.82150 0.16791 1.00000
O17 O 0.00750 0.18600 0.16791 1.00000
O18 O 0.17850 0.99250 0.16791 1.00000
O19 O 0.37120 0.07241 0.41356 1.00000
O20 O 0.92759 0.29878 0.41356 1.00000
O21 O 0.70122 0.62880 0.41356 1.00000
O22 O 0.62880 0.92759 0.58644 1.00000
O23 O 0.07241 0.70122 0.58644 1.00000
O24 O 0.29878 0.37120 0.58644 1.00000
