Pa4Sb3C2
Alexandria ALEXAlex-ID: agm003339628 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_151_spg15
Pa5Sb3C PaSb2 PaC
2022-01-27 01:26:44.416195
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003339628).
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 agm003339628
data_agm003339628
_cell_length_a 6.47169
_cell_length_b 8.43734
_cell_length_c 8.43734
_cell_angle_alpha 74.09796
_cell_angle_beta 88.71463
_cell_angle_gamma 88.71463
_cell_volume 442.90526
_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
Pa1 Pa 0.47479 0.94162 0.31110 1.00000
Pa2 Pa 0.02521 0.68890 0.05838 1.00000
Pa3 Pa 0.52521 0.05838 0.68890 1.00000
Pa4 Pa 0.97479 0.31110 0.94162 1.00000
Pa5 Pa 0.07753 0.25826 0.39936 1.00000
Pa6 Pa 0.42247 0.60064 0.74174 1.00000
Pa7 Pa 0.92247 0.74174 0.60064 1.00000
Pa8 Pa 0.57753 0.39936 0.25826 1.00000
Sb1 Sb 0.96999 0.98038 0.23913 1.00000
Sb2 Sb 0.53001 0.76087 0.01962 1.00000
Sb3 Sb 0.03001 0.01962 0.76087 1.00000
Sb4 Sb 0.46999 0.23913 0.98038 1.00000
Sb5 Sb 0.25000 0.59728 0.40272 1.00000
Sb6 Sb 0.75000 0.40272 0.59728 1.00000
C1 C 0.41703 0.16245 0.41940 1.00000
C2 C 0.08297 0.58060 0.83755 1.00000
C3 C 0.58297 0.83755 0.58060 1.00000
C4 C 0.91703 0.41940 0.16245 1.00000
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