Y8(TmTh)3
Alexandria ALEXAlex-ID: agm005690610 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
Y5Tm YTmTh2 Tm2Th
2023-06-29 12:09:49.401011
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690610).
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 agm005690610
data_agm005690610
_cell_length_a 5.67418
_cell_length_b 9.61891
_cell_length_c 9.61891
_cell_angle_alpha 102.46808
_cell_angle_beta 72.85221
_cell_angle_gamma 72.85222
_cell_volume 452.22606
_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 0.65852 0.12001 0.56302 1.00000
Y2 Y 0.34148 0.87999 0.43698 1.00000
Y3 Y 0.65852 0.56302 0.12001 1.00000
Y4 Y 0.34148 0.43698 0.87999 1.00000
Y5 Y 0.83932 0.76304 0.55852 1.00000
Y6 Y 0.16068 0.23696 0.44148 1.00000
Y7 Y 0.83932 0.55852 0.76304 1.00000
Y8 Y 0.16068 0.44148 0.23696 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.80799 0.19188 0.19188 1.00000
Tm3 Tm 0.19201 0.80812 0.80812 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 1.00000 0.81638 0.18362 1.00000
Th3 Th 0.00000 0.18362 0.81638 1.00000
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