TbThSnO2
Alexandria ALEXAlex-ID: agm058553270 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_219_spg1
TbSn ThO2
2025-04-15 02:14:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058553270).
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 agm058553270
data_agm058553270
_cell_length_a 3.93997
_cell_length_b 3.93997
_cell_length_c 7.22295
_cell_angle_alpha 74.18071
_cell_angle_beta 105.81929
_cell_angle_gamma 89.99376
_cell_volume 103.45608
_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 0.84285 0.15715 0.68615 1.00000
Th1 Th 0.15880 0.84120 0.31777 1.00000
Sn1 Sn 0.49748 0.50252 0.99467 1.00000
O1 O 0.75029 0.74974 0.50082 1.00000
O2 O 0.25026 0.24971 0.50082 1.00000
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