Th2Ni7
Alexandria ALEXAlex-ID: agm007809241 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_128_spg12
Th2Ni7
2024-03-17 18:01:44.214657
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007809241).
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
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# CIF generated by HEAS from Alexandria entry agm007809241
data_agm007809241
_cell_length_a 4.96304
_cell_length_b 4.96304
_cell_length_c 6.55487
_cell_angle_alpha 82.20927
_cell_angle_beta 82.20927
_cell_angle_gamma 120.74267
_cell_volume 133.45037
_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 0.11667 0.11667 0.22612 1.00000
Th2 Th 0.88333 0.88333 0.77388 1.00000
Ni1 Ni 0.50000 0.00000 0.50000 1.00000
Ni2 Ni 0.00000 0.50000 0.50000 1.00000
Ni3 Ni 0.55605 0.20510 0.83771 1.00000
Ni4 Ni 0.20510 0.55605 0.83771 1.00000
Ni5 Ni 0.44395 0.79490 0.16229 1.00000
Ni6 Ni 0.79490 0.44395 0.16229 1.00000
Ni7 Ni 0.50000 0.50000 0.50000 1.00000
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