AcThNi2
Alexandria ALEXAlex-ID: agm005804883 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_970_spg6
Th3Ni4 Ac2Ni Th3Ni5
2023-07-14 17:22:45.286750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804883).
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 agm005804883
data_agm005804883
_cell_length_a 4.68177
_cell_length_b 6.08159
_cell_length_c 7.41734
_cell_angle_alpha 109.05282
_cell_angle_beta 89.99872
_cell_angle_gamma 90.00106
_cell_volume 199.62151
_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
Ac1 Ac 0.25000 0.28098 0.12312 1.00000
Ac2 Ac 0.75000 0.71902 0.87688 1.00000
Th1 Th 0.75000 0.78862 0.39952 1.00000
Th2 Th 0.25000 0.21138 0.60048 1.00000
Ni1 Ni 0.25000 0.82673 0.22611 1.00000
Ni2 Ni 0.75000 0.17327 0.77389 1.00000
Ni3 Ni 0.75000 0.36628 0.47033 1.00000
Ni4 Ni 0.25000 0.63372 0.52967 1.00000
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