TbThRu2
Alexandria ALEXAlex-ID: agm005606016 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_970_spg6
Tb2ThRu3 ThRu
2023-07-13 09:47:45.263281
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606016).
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
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# CIF generated by HEAS from Alexandria entry agm005606016
data_agm005606016
_cell_length_a 4.91259
_cell_length_b 6.06028
_cell_length_c 6.06026
_cell_angle_alpha 70.25380
_cell_angle_beta 90.00124
_cell_angle_gamma 90.00123
_cell_volume 169.81462
_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 0.75000 0.88202 0.88203 1.00000
Tb2 Tb 0.25000 0.11798 0.11797 1.00000
Th1 Th 0.75002 0.36843 0.36842 1.00000
Th2 Th 0.24998 0.63157 0.63158 1.00000
Ru1 Ru 0.25004 0.61432 0.13535 1.00000
Ru2 Ru 0.74996 0.86465 0.38568 1.00000
Ru3 Ru 0.74996 0.38568 0.86465 1.00000
Ru4 Ru 0.25004 0.13535 0.61432 1.00000
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