Ta2FeNi7Ge2
Alexandria ALEXAlex-ID: agm004590366 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_153_spg12
Fe5Ge Ni5Ge3 Ta2Fe3Ge TaNi3
2022-06-25 11:29:49.953618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004590366).
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 agm004590366
data_agm004590366
_cell_length_a 3.31156
_cell_length_b 3.31156
_cell_length_c 14.81017
_cell_angle_alpha 83.57258
_cell_angle_beta 83.57258
_cell_angle_gamma 90.00109
_cell_volume 160.36662
_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
Ta1 Ta 0.63258 0.63258 0.73603 1.00000
Ta2 Ta 0.36742 0.36742 0.26397 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ni2 Ni 0.27380 0.27380 0.45187 1.00000
Ni3 Ni 0.72620 0.72620 0.54813 1.00000
Ni4 Ni 0.93368 0.43369 0.13155 1.00000
Ni5 Ni 0.43369 0.93368 0.13155 1.00000
Ni6 Ni 0.56631 0.06632 0.86845 1.00000
Ni7 Ni 0.06632 0.56631 0.86845 1.00000
Ge1 Ge 0.80837 0.80837 0.38258 1.00000
Ge2 Ge 0.19163 0.19163 0.61742 1.00000
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