Tb2P4O13
Alexandria ALEXAlex-ID: agm007910752 · Space group: C222_1 (#20)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C13_34_spg20
Tb(PO3)3 TbPO4
2025-02-28 21:30:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007910752).
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 agm007910752
data_agm007910752
_cell_length_a 9.49383
_cell_length_b 9.49383
_cell_length_c 8.68214
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 135.83059
_cell_volume 545.26386
_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
Tb1 Tb 0.60413 0.89579 0.35384 1.00000
Tb2 Tb 0.10421 0.39587 0.14616 1.00000
Tb3 Tb 0.89579 0.60413 0.64616 1.00000
Tb4 Tb 0.39587 0.10421 0.85384 1.00000
P1 P 0.08114 0.40106 0.49994 1.00000
P2 P 0.59894 0.91886 0.00006 1.00000
P3 P 0.22346 0.35092 0.77280 1.00000
P4 P 0.64908 0.77654 0.72720 1.00000
P5 P 0.77654 0.64908 0.27280 1.00000
P6 P 0.35092 0.22346 0.22720 1.00000
P7 P 0.40106 0.08114 0.50006 1.00000
P8 P 0.91886 0.59894 0.99994 1.00000
O1 O 0.58824 0.41176 0.25000 1.00000
O2 O 0.56885 0.27130 0.59808 1.00000
O3 O 0.72870 0.43115 0.90192 1.00000
O4 O 0.01522 0.47283 0.60340 1.00000
O5 O 0.52717 0.98478 0.89660 1.00000
O6 O 0.92202 0.23604 0.38289 1.00000
O7 O 0.76396 0.07798 0.11711 1.00000
O8 O 0.67357 0.90303 0.60328 1.00000
O9 O 0.09697 0.32643 0.89672 1.00000
O10 O 0.12057 0.29089 0.60648 1.00000
O11 O 0.70911 0.87943 0.89352 1.00000
O12 O 0.24541 0.28583 0.20574 1.00000
O13 O 0.71417 0.75459 0.29426 1.00000
O14 O 0.28583 0.24541 0.79426 1.00000
O15 O 0.75459 0.71417 0.70574 1.00000
O16 O 0.29089 0.12057 0.39352 1.00000
O17 O 0.87943 0.70911 0.10648 1.00000
O18 O 0.32643 0.09697 0.10328 1.00000
O19 O 0.90303 0.67357 0.39672 1.00000
O20 O 0.23604 0.92202 0.61711 1.00000
O21 O 0.07798 0.76396 0.88289 1.00000
O22 O 0.98478 0.52717 0.10340 1.00000
O23 O 0.47283 0.01522 0.39660 1.00000
O24 O 0.43115 0.72870 0.09808 1.00000
O25 O 0.27130 0.56885 0.40192 1.00000
O26 O 0.41176 0.58824 0.75000 1.00000
