NaTm4Tl7
Alexandria ALEXAlex-ID: agm003667775 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
NaTmTl2 TmTl TmTl3
2022-04-20 11:45:36.266304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667775).
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 agm003667775
data_agm003667775
_cell_length_a 5.44075
_cell_length_b 9.63174
_cell_length_c 7.52741
_cell_angle_alpha 81.11264
_cell_angle_beta 68.81406
_cell_angle_gamma 73.59420
_cell_volume 352.22348
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.58010 0.21516 0.62463 1.00000
Tm2 Tm 0.41990 0.78484 0.37537 1.00000
Tm3 Tm 0.71180 0.66471 0.91169 1.00000
Tm4 Tm 0.28820 0.33529 0.08831 1.00000
Tl1 Tl 0.77834 0.88582 0.55749 1.00000
Tl2 Tl 0.22166 0.11418 0.44251 1.00000
Tl3 Tl 0.07517 0.67907 0.17059 1.00000
Tl4 Tl 0.92483 0.32093 0.82941 1.00000
Tl5 Tl 0.36445 0.55620 0.71490 1.00000
Tl6 Tl 0.50000 0.00000 0.00000 1.00000
Tl7 Tl 0.63555 0.44380 0.28510 1.00000
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