Th4Ni2Ru
Alexandria ALEXAlex-ID: agm003458142 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_139_spg141
Th2NiRu Th7Ru3 ThNi
2022-02-18 05:54:15.751472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458142).
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 agm003458142
data_agm003458142
_cell_length_a 7.73111
_cell_length_b 7.73135
_cell_length_c 7.73193
_cell_angle_alpha 110.65527
_cell_angle_beta 110.63585
_cell_angle_gamma 107.15174
_cell_volume 355.30949
_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 0.92890 0.23284 0.30429 1.00000
Th2 Th 0.32155 0.51716 0.19614 1.00000
Th3 Th 0.92855 0.62461 0.69576 1.00000
Th4 Th 0.76707 0.07153 0.69608 1.00000
Th5 Th 0.37544 0.07102 0.30385 1.00000
Th6 Th 0.32098 0.12539 0.80379 1.00000
Th7 Th 0.48292 0.67889 0.80436 1.00000
Th8 Th 0.87457 0.67857 0.19573 1.00000
Ni1 Ni 0.62471 0.37500 0.74971 1.00000
Ni2 Ni 0.62530 0.87501 0.25031 1.00000
Ni3 Ni 0.62500 0.37468 0.24967 1.00000
Ni4 Ni 0.12499 0.37531 0.75031 1.00000
Ru1 Ru 0.24975 0.74969 0.50002 1.00000
Ru2 Ru 0.00026 0.00031 0.99998 1.00000
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