Tb8Th4P16Pd15
Alexandria ALEXAlex-ID: agm018776402 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B8C15D16_0_spg6
Tb3Th5(P3Pd4)4 Th7P12Pd17 Tb7P12Pd17 Tb7ThP8
2025-01-01 03:25:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018776402).
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 agm018776402
data_agm018776402
_cell_length_a 9.77579
_cell_length_b 4.04040
_cell_length_c 20.56353
_cell_angle_alpha 90.00000
_cell_angle_beta 97.09739
_cell_angle_gamma 90.00000
_cell_volume 805.99747
_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 0.13026 0.00000 0.94740 1.00000
Tb2 Tb 0.13172 0.00000 0.44976 1.00000
Tb3 Tb 0.87228 0.50000 0.55267 1.00000
Tb4 Tb 0.86630 0.50000 0.04789 1.00000
Tb5 Tb 0.15683 0.00000 0.77072 1.00000
Tb6 Tb 0.14275 0.00000 0.26977 1.00000
Tb7 Tb 0.85900 0.50000 0.73152 1.00000
Tb8 Tb 0.85885 0.50000 0.22956 1.00000
Th1 Th 0.35984 0.00000 0.62495 1.00000
Th2 Th 0.35512 0.00000 0.11941 1.00000
Th3 Th 0.62668 0.50000 0.87381 1.00000
Th4 Th 0.64546 0.50000 0.37919 1.00000
P1 P 0.96328 0.00000 0.65349 1.00000
P2 P 0.96270 0.00000 0.15058 1.00000
P3 P 0.04124 0.50000 0.84830 1.00000
P4 P 0.03835 0.50000 0.34872 1.00000
P5 P 0.81436 0.00000 0.95338 1.00000
P6 P 0.82703 0.00000 0.45801 1.00000
P7 P 0.17908 0.50000 0.54407 1.00000
P8 P 0.17167 0.50000 0.04152 1.00000
P9 P 0.66515 0.00000 0.77001 1.00000
P10 P 0.67621 0.00000 0.26451 1.00000
P11 P 0.33105 0.50000 0.73638 1.00000
P12 P 0.32433 0.50000 0.23468 1.00000
P13 P 0.41827 0.00000 0.91119 1.00000
P14 P 0.41648 0.00000 0.41519 1.00000
P15 P 0.58520 0.50000 0.58635 1.00000
P16 P 0.58157 0.50000 0.08314 1.00000
Pd1 Pd 0.88699 0.00000 0.84354 1.00000
Pd2 Pd 0.88266 0.00000 0.34526 1.00000
Pd3 Pd 0.11848 0.50000 0.65531 1.00000
Pd4 Pd 0.11772 0.50000 0.15402 1.00000
Pd5 Pd 0.60553 0.00000 0.50255 1.00000
Pd6 Pd 0.59965 0.00000 0.00757 1.00000
Pd7 Pd 0.39134 0.50000 0.99520 1.00000
Pd8 Pd 0.39871 0.50000 0.49757 1.00000
Pd9 Pd 0.69938 0.00000 0.63771 1.00000
Pd10 Pd 0.70234 0.00000 0.13996 1.00000
Pd11 Pd 0.30262 0.50000 0.86085 1.00000
Pd12 Pd 0.29901 0.50000 0.36302 1.00000
Pd13 Pd 0.44841 0.00000 0.29651 1.00000
Pd14 Pd 0.55960 0.50000 0.70739 1.00000
Pd15 Pd 0.55190 0.50000 0.20234 1.00000
