TbY2Ni
Alexandria ALEXAlex-ID: agm068281155 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7452_spg62
Y3Ni Tb2YNi
2024-12-03 13:37:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068281155).
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 agm068281155
data_agm068281155
_cell_length_a 6.34125
_cell_length_b 9.68458
_cell_length_c 13.79053
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 846.90927
_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
Tb1 Tb 0.06963 0.25000 0.85532 1.00000
Tb2 Tb 0.56963 0.75000 0.64468 1.00000
Tb3 Tb 0.93037 0.75000 0.14468 1.00000
Tb4 Tb 0.43037 0.25000 0.35532 1.00000
Tb5 Tb 0.26893 0.25000 0.60739 1.00000
Tb6 Tb 0.76893 0.75000 0.89261 1.00000
Tb7 Tb 0.73107 0.75000 0.39261 1.00000
Tb8 Tb 0.23107 0.25000 0.10739 1.00000
Y1 Y 0.59738 0.06931 0.78543 1.00000
Y2 Y 0.09738 0.93069 0.71457 1.00000
Y3 Y 0.40262 0.56931 0.21457 1.00000
Y4 Y 0.90262 0.43069 0.28543 1.00000
Y5 Y 0.40262 0.93069 0.21457 1.00000
Y6 Y 0.90262 0.06931 0.28543 1.00000
Y7 Y 0.59738 0.43069 0.78543 1.00000
Y8 Y 0.09738 0.56931 0.71457 1.00000
Y9 Y 0.25240 0.56855 0.96413 1.00000
Y10 Y 0.75240 0.43145 0.53587 1.00000
Y11 Y 0.74760 0.06855 0.03587 1.00000
Y12 Y 0.24760 0.93145 0.46413 1.00000
Y13 Y 0.74760 0.43145 0.03587 1.00000
Y14 Y 0.24760 0.56855 0.46413 1.00000
Y15 Y 0.25240 0.93145 0.96413 1.00000
Y16 Y 0.75240 0.06855 0.53587 1.00000
Ni1 Ni 0.86521 0.25000 0.68189 1.00000
Ni2 Ni 0.36521 0.75000 0.81811 1.00000
Ni3 Ni 0.13479 0.75000 0.31811 1.00000
Ni4 Ni 0.63479 0.25000 0.18189 1.00000
Ni5 Ni 0.47673 0.25000 0.93646 1.00000
Ni6 Ni 0.97673 0.75000 0.56354 1.00000
Ni7 Ni 0.52327 0.75000 0.06354 1.00000
Ni8 Ni 0.02327 0.25000 0.43646 1.00000
