Pa3(TcGe2)2
Alexandria ALEXAlex-ID: agm005662441 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_33_spg2
Pa5Ge4 Pa4Tc7Ge6 PaGe2
2023-06-27 03:17:15.714883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662441).
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 agm005662441
data_agm005662441
_cell_length_a 4.41117
_cell_length_b 5.69753
_cell_length_c 8.21658
_cell_angle_alpha 106.78868
_cell_angle_beta 90.00000
_cell_angle_gamma 112.77496
_cell_volume 180.82066
_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 0.63280 0.26561 0.69333 1.00000
Pa2 Pa 0.00000 0.00000 0.00000 1.00000
Pa3 Pa 0.36720 0.73439 0.30667 1.00000
Tc1 Tc 0.68401 0.36801 0.36472 1.00000
Tc2 Tc 0.31599 0.63199 0.63528 1.00000
Ge1 Ge 0.70915 0.41830 0.07288 1.00000
Ge2 Ge 0.29085 0.58170 0.92712 1.00000
Ge3 Ge 0.91732 0.83464 0.60680 1.00000
Ge4 Ge 0.08268 0.16536 0.39320 1.00000
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