Pa5GaTc5
Alexandria ALEXAlex-ID: agm003673729 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_40_spg12
PaGaTc PaTc
2022-04-09 12:17:43.549485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673729).
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 agm003673729
data_agm003673729
_cell_length_a 5.24235
_cell_length_b 6.52780
_cell_length_c 8.22020
_cell_angle_alpha 108.46210
_cell_angle_beta 90.00000
_cell_angle_gamma 113.67452
_cell_volume 241.73775
_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 0.68288 0.36575 0.33878 1.00000
Pa2 Pa 0.67169 0.34338 0.83873 1.00000
Pa3 Pa 0.00000 0.00000 0.50000 1.00000
Pa4 Pa 0.32831 0.65662 0.16127 1.00000
Pa5 Pa 0.31712 0.63425 0.66122 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.86841 0.73683 0.18258 1.00000
Tc2 Tc 0.86024 0.72047 0.68403 1.00000
Tc3 Tc 0.50000 0.00000 0.00000 1.00000
Tc4 Tc 0.13976 0.27953 0.31597 1.00000
Tc5 Tc 0.13159 0.26317 0.81742 1.00000
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