Tb2ThP3
Alexandria ALEXAlex-ID: agm005658729 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_65_spg12
TbTh4P5 Tb3ThP4
2023-08-24 08:29:16.447494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658729).
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 agm005658729
data_agm005658729
_cell_length_a 4.03667
_cell_length_b 8.10675
_cell_length_c 9.89741
_cell_angle_alpha 108.32696
_cell_angle_beta 90.00000
_cell_angle_gamma 104.41657
_cell_volume 296.69442
_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 0.16925 0.33851 0.33521 1.00000
Tb2 Tb 0.83075 0.66149 0.66479 1.00000
Tb3 Tb 0.32983 0.65966 0.16399 1.00000
Tb4 Tb 0.67017 0.34034 0.83601 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.00000 0.50000 1.00000
P1 P 0.97081 0.94163 0.19473 1.00000
P2 P 0.02919 0.05837 0.80527 1.00000
P3 P 0.69505 0.39011 0.13992 1.00000
P4 P 0.30495 0.60989 0.86008 1.00000
P5 P 0.35991 0.71981 0.47292 1.00000
P6 P 0.64009 0.28019 0.52708 1.00000
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