Tb4Cd2In
Alexandria ALEXAlex-ID: agm005991745 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1633_spg166
Tb2In TbCd
2023-09-05 21:42:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991745).
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 agm005991745
data_agm005991745
_cell_length_a 5.25187
_cell_length_b 5.25187
_cell_length_c 8.95812
_cell_angle_alpha 72.95427
_cell_angle_beta 72.95427
_cell_angle_gamma 60.00000
_cell_volume 201.35053
_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
In1 In 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.86986 0.86986 0.39042 1.00000
Tb2 Tb 0.13014 0.13014 0.60958 1.00000
Tb3 Tb 0.61616 0.61616 0.15151 1.00000
Tb4 Tb 0.38384 0.38384 0.84849 1.00000
Cd1 Cd 0.74576 0.74576 0.76273 1.00000
Cd2 Cd 0.25424 0.25424 0.23727 1.00000
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