Na(PmTl)3
Alexandria ALEXAlex-ID: agm003545461 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_304_spg12
PmTl Na
2022-04-03 04:03:48.831958
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545461).
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 agm003545461
data_agm003545461
_cell_length_a 7.33828
_cell_length_b 7.33828
_cell_length_c 8.68167
_cell_angle_alpha 91.93962
_cell_angle_beta 91.93962
_cell_angle_gamma 112.03651
_cell_volume 432.56197
_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 0.68820 0.68820 0.02746 1.00000
Na2 Na 0.31180 0.31180 0.97254 1.00000
Pm1 Pm 0.66832 0.66832 0.41629 1.00000
Pm2 Pm 0.19909 0.80091 0.50000 1.00000
Pm3 Pm 0.80091 0.19909 0.50000 1.00000
Pm4 Pm 0.20816 0.79184 0.00000 1.00000
Pm5 Pm 0.79184 0.20816 0.00000 1.00000
Pm6 Pm 0.33168 0.33168 0.58371 1.00000
Tl1 Tl 0.01120 0.01120 0.24455 1.00000
Tl2 Tl 0.83608 0.53278 0.74276 1.00000
Tl3 Tl 0.53278 0.83608 0.74276 1.00000
Tl4 Tl 0.16392 0.46722 0.25724 1.00000
Tl5 Tl 0.46722 0.16392 0.25724 1.00000
Tl6 Tl 0.98880 0.98880 0.75545 1.00000
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