Tb2Pr3ThAs6
Alexandria ALEXAlex-ID: agm039699009 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_166_spg12
Pr3ThAs4 Tb7ThAs8 Pr5ThAs6
2025-02-22 17:37:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039699009).
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 agm039699009
data_agm039699009
_cell_length_a 9.49232
_cell_length_b 9.49232
_cell_length_c 8.49643
_cell_angle_alpha 76.90007
_cell_angle_beta 103.09993
_cell_angle_gamma 154.13208
_cell_volume 324.85649
_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 0.83170 0.16830 0.16363 1.00000
Tb2 Tb 0.16830 0.83170 0.83637 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.83240 0.16760 0.66915 1.00000
Pr3 Pr 0.16760 0.83240 0.33085 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
As1 As 0.33487 0.66513 0.41089 1.00000
As2 As 0.66872 0.33128 0.07742 1.00000
As3 As 0.66513 0.33487 0.58911 1.00000
As4 As 0.00261 0.99739 0.74738 1.00000
As5 As 0.99739 0.00261 0.25262 1.00000
As6 As 0.33128 0.66872 0.92258 1.00000
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