Tb2Th4P3H2
Alexandria ALEXAlex-ID: agm006306239 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
Tb3ThP4 TbTh4P5 TbH2 Th
2024-06-24 12:01:53.666802
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006306239).
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 agm006306239
data_agm006306239
_cell_length_a 11.79998
_cell_length_b 11.79998
_cell_length_c 11.79998
_cell_angle_alpha 157.33906
_cell_angle_beta 157.33906
_cell_angle_gamma 32.26351
_cell_volume 243.69127
_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 0.29683 0.29683 0.00000 1.00000
Tb2 Tb 0.70317 0.70317 0.00000 1.00000
Th1 Th 0.41838 0.91838 0.50000 1.00000
Th2 Th 0.91838 0.41838 0.50000 1.00000
Th3 Th 0.08162 0.58162 0.50000 1.00000
Th4 Th 0.58162 0.08162 0.50000 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.17189 0.17189 0.00000 1.00000
P3 P 0.82811 0.82811 0.00000 1.00000
H1 H 0.39531 0.39531 0.00000 1.00000
H2 H 0.60469 0.60469 0.00000 1.00000
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