K3Tb2(PO4)3
Alexandria ALEXAlex-ID: agm011241872 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D12_23_spg9
K3Tb(PO4)2 TbPO4
2024-08-24 23:53:44.111677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011241872).
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 agm011241872
data_agm011241872
_cell_length_a 9.51383
_cell_length_b 9.51383
_cell_length_c 9.73233
_cell_angle_alpha 61.50176
_cell_angle_beta 61.50176
_cell_angle_gamma 60.11650
_cell_volume 637.24083
_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 0.93581 0.61084 0.51188 1.00000
K2 K 0.61084 0.93581 0.01188 1.00000
K3 K 0.40022 0.59385 0.26357 1.00000
K4 K 0.59385 0.40022 0.76357 1.00000
K5 K 0.10910 0.24914 0.25424 1.00000
K6 K 0.24914 0.10910 0.75424 1.00000
Tb1 Tb 0.14210 0.66100 0.04865 1.00000
Tb2 Tb 0.66100 0.14210 0.54865 1.00000
Tb3 Tb 0.85109 0.35230 0.96537 1.00000
Tb4 Tb 0.35230 0.85109 0.46537 1.00000
P1 P 0.46212 0.24536 0.24686 1.00000
P2 P 0.24536 0.46212 0.74686 1.00000
P3 P 0.53949 0.75362 0.77534 1.00000
P4 P 0.75362 0.53949 0.27534 1.00000
P5 P 0.05638 0.95507 0.24827 1.00000
P6 P 0.95507 0.05638 0.74827 1.00000
O1 O 0.21720 0.92102 0.28224 1.00000
O2 O 0.92102 0.21720 0.78224 1.00000
O3 O 0.79471 0.08269 0.72097 1.00000
O4 O 0.08269 0.79471 0.22097 1.00000
O5 O 0.61984 0.27019 0.09376 1.00000
O6 O 0.27019 0.61984 0.59376 1.00000
O7 O 0.37850 0.73999 0.92765 1.00000
O8 O 0.73999 0.37850 0.42765 1.00000
O9 O 0.48996 0.22938 0.40007 1.00000
O10 O 0.22938 0.48996 0.90007 1.00000
O11 O 0.50677 0.76958 0.62527 1.00000
O12 O 0.76958 0.50677 0.12527 1.00000
O13 O 0.43321 0.08477 0.27642 1.00000
O14 O 0.08477 0.43321 0.77642 1.00000
O15 O 0.57543 0.91278 0.73834 1.00000
O16 O 0.91278 0.57543 0.23834 1.00000
O17 O 0.30051 0.40693 0.21631 1.00000
O18 O 0.40693 0.30051 0.71631 1.00000
O19 O 0.69652 0.59040 0.80618 1.00000
O20 O 0.59040 0.69652 0.30618 1.00000
O21 O 0.03342 0.11628 0.09488 1.00000
O22 O 0.11628 0.03342 0.59488 1.00000
O23 O 0.98827 0.89491 0.89854 1.00000
O24 O 0.89491 0.98827 0.39854 1.00000
