YTm2Th3
Alexandria ALEXAlex-ID: agm005678280 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_845_spg15
YTmTh2 Tm2Th Th
2023-08-29 23:38:31.058969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678280).
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 agm005678280
data_agm005678280
_cell_length_a 6.17469
_cell_length_b 7.05660
_cell_length_c 9.39612
_cell_angle_alpha 112.08405
_cell_angle_beta 90.24244
_cell_angle_gamma 90.00761
_cell_volume 379.36972
_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 0.75003 0.87125 0.99996 1.00000
Y2 Y 0.24997 0.12875 0.00004 1.00000
Tm1 Tm 0.58314 0.95699 0.66300 1.00000
Tm2 Tm 0.08281 0.70612 0.66299 1.00000
Tm3 Tm 0.91719 0.29388 0.33701 1.00000
Tm4 Tm 0.41686 0.04301 0.33700 1.00000
Th1 Th 0.24994 0.62061 0.00002 1.00000
Th2 Th 0.75006 0.37939 0.99998 1.00000
Th3 Th 0.91599 0.78770 0.33313 1.00000
Th4 Th 0.58395 0.45447 0.66685 1.00000
Th5 Th 0.41605 0.54553 0.33315 1.00000
Th6 Th 0.08401 0.21230 0.66687 1.00000
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