Tb7NdTl5
Alexandria ALEXAlex-ID: agm003680098 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_45_spg44
Tb3(NdTl2)2 Tb5Tl3 Nd5Tl3
2022-04-10 07:24:33.211282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003680098).
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 agm003680098
data_agm003680098
_cell_length_a 6.55941
_cell_length_b 8.36948
_cell_length_c 8.36948
_cell_angle_alpha 80.53352
_cell_angle_beta 66.92942
_cell_angle_gamma 66.92942
_cell_volume 388.88602
_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 0.63989 0.36011 0.36011 1.00000
Tb2 Tb 0.32401 0.67599 0.67599 1.00000
Tb3 Tb 0.99667 0.34377 0.66288 1.00000
Tb4 Tb 0.99667 0.66288 0.34377 1.00000
Tb5 Tb 0.27115 0.22885 0.22885 1.00000
Tb6 Tb 0.51263 0.79310 0.18163 1.00000
Tb7 Tb 0.51263 0.18163 0.79310 1.00000
Nd1 Nd 0.98542 0.01458 0.01458 1.00000
Tl1 Tl 0.50565 0.00315 0.48499 1.00000
Tl2 Tl 0.00620 0.00315 0.48499 1.00000
Tl3 Tl 0.50565 0.48499 0.00315 1.00000
Tl4 Tl 0.00620 0.48499 0.00315 1.00000
Tl5 Tl 0.73721 0.76279 0.76279 1.00000
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