Tb2Y6Tm
Alexandria ALEXAlex-ID: agm005602796 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1975_spg15
Tb2Y7 Tb5Y Y5Tm
2023-07-10 15:46:23.927818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602796).
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 agm005602796
data_agm005602796
_cell_length_a 5.72702
_cell_length_b 11.87474
_cell_length_c 11.87463
_cell_angle_alpha 47.53119
_cell_angle_beta 103.94233
_cell_angle_gamma 103.94218
_cell_volume 574.67519
_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 0.03340 0.66814 0.83195 1.00000
Tb2 Tb 0.46661 0.16805 0.33186 1.00000
Tb3 Tb 0.96660 0.33186 0.16805 1.00000
Tb4 Tb 0.53339 0.83195 0.66814 1.00000
Y1 Y 0.79642 0.50032 0.66444 1.00000
Y2 Y 0.70358 0.33556 0.49969 1.00000
Y3 Y 0.20358 0.49968 0.33556 1.00000
Y4 Y 0.29642 0.66444 0.50031 1.00000
Y5 Y 0.91684 0.91677 0.41667 1.00000
Y6 Y 0.58316 0.58333 0.08324 1.00000
Y7 Y 0.08316 0.08323 0.58333 1.00000
Y8 Y 0.41684 0.41667 0.91676 1.00000
Y9 Y 0.13068 0.83621 0.99941 1.00000
Y10 Y 0.36932 0.00060 0.16379 1.00000
Y11 Y 0.86932 0.16379 0.00059 1.00000
Y12 Y 0.63068 0.99940 0.83621 1.00000
Tm1 Tm 0.25000 0.25049 0.74951 1.00000
Tm2 Tm 0.75000 0.74951 0.25049 1.00000
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