Tb(Pa3C4)2
Alexandria ALEXAlex-ID: agm072950797 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_172_spg166
Tb4C7 PaC C
2024-10-05 13:23:54.935565
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072950797).
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 agm072950797
data_agm072950797
_cell_length_a 6.30971
_cell_length_b 6.24596
_cell_length_c 6.45187
_cell_angle_alpha 97.51720
_cell_angle_beta 101.67240
_cell_angle_gamma 100.10096
_cell_volume 241.47708
_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 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.57778 0.26877 0.11401 1.00000
Pa2 Pa 0.14164 0.56926 0.28869 1.00000
Pa3 Pa 0.28417 0.14658 0.56982 1.00000
Pa4 Pa 0.42222 0.73123 0.88599 1.00000
Pa5 Pa 0.85836 0.43074 0.71131 1.00000
Pa6 Pa 0.71583 0.85342 0.43018 1.00000
C1 C 0.51408 0.44069 0.40898 1.00000
C2 C 0.48592 0.55931 0.59102 1.00000
C3 C 0.20898 0.37149 0.92050 1.00000
C4 C 0.93606 0.21455 0.36888 1.00000
C5 C 0.35856 0.91164 0.23408 1.00000
C6 C 0.79102 0.62851 0.07950 1.00000
C7 C 0.06394 0.78545 0.63112 1.00000
C8 C 0.64144 0.08836 0.76592 1.00000
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