Y(Tm2Th)3
Alexandria ALEXAlex-ID: agm006017136 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_299_spg146
Y5Tm YTmTh2 Tm2Th
2023-09-23 14:08:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006017136).
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 agm006017136
data_agm006017136
_cell_length_a 9.76652
_cell_length_b 9.76651
_cell_length_c 6.88806
_cell_angle_alpha 44.85085
_cell_angle_beta 44.85085
_cell_angle_gamma 60.00000
_cell_volume 326.79347
_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
Y1 Y 0.85015 0.85015 0.44956 1.00000
Tm1 Tm 0.93216 0.59942 0.20114 1.00000
Tm2 Tm 0.26728 0.93216 0.20114 1.00000
Tm3 Tm 0.59942 0.26728 0.20114 1.00000
Tm4 Tm 0.10037 0.43253 0.69941 1.00000
Tm5 Tm 0.76768 0.10037 0.69941 1.00000
Tm6 Tm 0.43253 0.76768 0.69941 1.00000
Th1 Th 0.35010 0.35010 0.94969 1.00000
Th2 Th 0.60088 0.60088 0.19736 1.00000
Th3 Th 0.09942 0.09942 0.70173 1.00000
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