U2Ta3Ge4
Alexandria ALEXAlex-ID: agm005235355 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_226_spg92
U2Ta3Ge4
2024-10-19 23:17:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235355).
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 agm005235355
data_agm005235355
_cell_length_a 7.01106
_cell_length_b 7.16815
_cell_length_c 13.47709
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 677.30863
_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
U1 U 0.49250 0.33078 0.59036 1.00000
U2 U 0.50750 0.66922 0.40964 1.00000
U3 U 0.00750 0.83078 0.40964 1.00000
U4 U 0.50750 0.66922 0.09036 1.00000
U5 U 0.99250 0.16922 0.59036 1.00000
U6 U 0.49250 0.33078 0.90964 1.00000
U7 U 0.99250 0.16922 0.90964 1.00000
U8 U 0.00750 0.83078 0.09036 1.00000
Ta1 Ta 0.33345 0.99381 0.75000 1.00000
Ta2 Ta 0.66655 0.00619 0.25000 1.00000
Ta3 Ta 0.16655 0.49381 0.25000 1.00000
Ta4 Ta 0.83345 0.50619 0.75000 1.00000
Ta5 Ta 0.16097 0.66503 0.62551 1.00000
Ta6 Ta 0.83903 0.33497 0.37449 1.00000
Ta7 Ta 0.33903 0.16503 0.37449 1.00000
Ta8 Ta 0.83903 0.33497 0.12551 1.00000
Ta9 Ta 0.66097 0.83497 0.62551 1.00000
Ta10 Ta 0.16097 0.66503 0.87449 1.00000
Ta11 Ta 0.66097 0.83497 0.87449 1.00000
Ta12 Ta 0.33903 0.16503 0.12551 1.00000
Ge1 Ge 0.32629 0.95631 0.54359 1.00000
Ge2 Ge 0.67371 0.04369 0.45641 1.00000
Ge3 Ge 0.17371 0.45631 0.45641 1.00000
Ge4 Ge 0.67371 0.04369 0.04359 1.00000
Ge5 Ge 0.82629 0.54369 0.54359 1.00000
Ge6 Ge 0.32629 0.95631 0.95641 1.00000
Ge7 Ge 0.82629 0.54369 0.95641 1.00000
Ge8 Ge 0.17371 0.45631 0.04359 1.00000
Ge9 Ge 0.19156 0.35626 0.75000 1.00000
Ge10 Ge 0.80844 0.64374 0.25000 1.00000
Ge11 Ge 0.30844 0.85626 0.25000 1.00000
Ge12 Ge 0.69156 0.14374 0.75000 1.00000
Ge13 Ge 0.46159 0.62299 0.75000 1.00000
Ge14 Ge 0.53841 0.37701 0.25000 1.00000
Ge15 Ge 0.03841 0.12299 0.25000 1.00000
Ge16 Ge 0.96159 0.87701 0.75000 1.00000
