Th2Pa3Ge4
Alexandria ALEXAlex-ID: agm005677589 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_763_spg14
ThPaGe Pa5Ge4 ThGe
2023-06-27 04:05:51.539820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677589).
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 agm005677589
data_agm005677589
_cell_length_a 7.69565
_cell_length_b 7.86654
_cell_length_c 7.78475
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.01521
_cell_volume 439.92780
_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
Th1 Th 0.56486 0.19819 0.31911 1.00000
Th2 Th 0.93514 0.80181 0.81911 1.00000
Th3 Th 0.43514 0.80181 0.68089 1.00000
Th4 Th 0.06486 0.19819 0.18089 1.00000
Pa1 Pa 0.00000 0.50000 0.50000 1.00000
Pa2 Pa 0.50000 0.50000 0.00000 1.00000
Pa3 Pa 0.72788 0.24946 0.82758 1.00000
Pa4 Pa 0.77212 0.75054 0.32758 1.00000
Pa5 Pa 0.27212 0.75054 0.17242 1.00000
Pa6 Pa 0.22788 0.24946 0.67242 1.00000
Ge1 Ge 0.83453 0.08165 0.53584 1.00000
Ge2 Ge 0.66547 0.91835 0.03584 1.00000
Ge3 Ge 0.16547 0.91835 0.46416 1.00000
Ge4 Ge 0.33453 0.08165 0.96416 1.00000
Ge5 Ge 0.87454 0.49192 0.12668 1.00000
Ge6 Ge 0.62546 0.50808 0.62668 1.00000
Ge7 Ge 0.12546 0.50808 0.87332 1.00000
Ge8 Ge 0.37454 0.49192 0.37332 1.00000
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