K3Tb(PO4)2
Alexandria ALEXAlex-ID: agm011669722 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_21_spg1
K3Tb(PO4)2
2024-12-06 01:14:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011669722).
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 agm011669722
data_agm011669722
_cell_length_a 9.80752
_cell_length_b 9.80752
_cell_length_c 7.93425
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 660.92938
_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 0.33401 0.33397 0.26057 1.00000
K2 K 0.99996 0.66599 0.26057 1.00000
K3 K 0.66603 0.00004 0.26057 1.00000
K4 K 0.66599 0.66603 0.73943 1.00000
K5 K 0.00004 0.33401 0.73943 1.00000
K6 K 0.33397 0.99996 0.73943 1.00000
K7 K 0.33333 0.66667 0.50468 1.00000
K8 K 0.66667 0.33333 0.49532 1.00000
K9 K 0.00000 0.00000 0.50000 1.00000
Tb1 Tb 0.33333 0.66667 0.03495 1.00000
Tb2 Tb 0.66667 0.33333 0.96505 1.00000
Tb3 Tb 0.00000 0.00000 0.00000 1.00000
P1 P 0.32708 0.34125 0.76669 1.00000
P2 P 0.01417 0.67292 0.76669 1.00000
P3 P 0.65875 0.98583 0.76669 1.00000
P4 P 0.67292 0.65875 0.23331 1.00000
P5 P 0.98583 0.32708 0.23331 1.00000
P6 P 0.34125 0.01417 0.23331 1.00000
O1 O 0.33639 0.47463 0.88366 1.00000
O2 O 0.13824 0.66361 0.88366 1.00000
O3 O 0.52537 0.86176 0.88366 1.00000
O4 O 0.66361 0.52537 0.11634 1.00000
O5 O 0.86176 0.33639 0.11634 1.00000
O6 O 0.47463 0.13824 0.11634 1.00000
O7 O 0.48360 0.33658 0.78462 1.00000
O8 O 0.85298 0.51640 0.78462 1.00000
O9 O 0.66342 0.14702 0.78462 1.00000
O10 O 0.51640 0.66342 0.21538 1.00000
O11 O 0.14702 0.48360 0.21538 1.00000
O12 O 0.33658 0.85298 0.21538 1.00000
O13 O 0.18770 0.17914 0.82701 1.00000
O14 O 0.99144 0.81230 0.82701 1.00000
O15 O 0.82086 0.00856 0.82701 1.00000
O16 O 0.81230 0.82086 0.17299 1.00000
O17 O 0.00856 0.18770 0.17299 1.00000
O18 O 0.17914 0.99144 0.17299 1.00000
O19 O 0.37320 0.07563 0.41459 1.00000
O20 O 0.92437 0.29757 0.41459 1.00000
O21 O 0.70243 0.62680 0.41459 1.00000
O22 O 0.62680 0.92437 0.58541 1.00000
O23 O 0.07563 0.70243 0.58541 1.00000
O24 O 0.29757 0.37320 0.58541 1.00000
