TbY5Tm2
Alexandria ALEXAlex-ID: agm044667209 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1001_spg1
Tb5Y Y5Tm YTm2
2025-03-07 21:39:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044667209).
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 agm044667209
data_agm044667209
_cell_length_a 6.69948
_cell_length_b 6.69948
_cell_length_c 8.43653
_cell_angle_alpha 55.82474
_cell_angle_beta 124.17526
_cell_angle_gamma 114.51165
_cell_volume 256.43252
_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 0.04386 0.95614 0.86237 1.00000
Y1 Y 0.45985 0.04163 0.69596 1.00000
Y2 Y 0.95837 0.54015 0.69596 1.00000
Y3 Y 0.04165 0.45936 0.36011 1.00000
Y4 Y 0.54064 0.95835 0.36011 1.00000
Y5 Y 0.95674 0.04326 0.19289 1.00000
Tm1 Tm 0.45880 0.54120 0.19374 1.00000
Tm2 Tm 0.54049 0.45951 0.86163 1.00000
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