PrTh5C6
Alexandria ALEXAlex-ID: agm006126147 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Th2C3 Pr2C3 Th6C5
2023-08-21 00:39:11.080640
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126147).
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 agm006126147
data_agm006126147
_cell_length_a 6.54696
_cell_length_b 6.54696
_cell_length_c 6.54889
_cell_angle_alpha 99.60564
_cell_angle_beta 99.60565
_cell_angle_gamma 119.97704
_cell_volume 229.22210
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
C1 C 0.42888 0.08488 0.25521 1.00000
C2 C 0.91512 0.57112 0.74479 1.00000
C3 C 0.25905 0.25905 0.74505 1.00000
C4 C 0.74095 0.74095 0.25495 1.00000
C5 C 0.08488 0.42888 0.25521 1.00000
C6 C 0.57112 0.91512 0.74479 1.00000
Th1 Th 0.83346 0.16654 0.50000 1.00000
Th2 Th 0.66710 0.33290 1.00000 1.00000
Th3 Th 0.50000 0.50000 0.50000 1.00000
Th4 Th 0.33290 0.66710 0.00000 1.00000
Th5 Th 0.16654 0.83346 0.50000 1.00000
Get direct link