Na(TlPt)2
Alexandria ALEXAlex-ID: agm003387553 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_149_spg15
Tl NaPt2
2022-02-11 05:52:27.274809
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003387553).
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 agm003387553
data_agm003387553
_cell_length_a 6.04099
_cell_length_b 6.92022
_cell_length_c 6.97719
_cell_angle_alpha 83.24486
_cell_angle_beta 73.96655
_cell_angle_gamma 64.73410
_cell_volume 253.51751
_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 0.82557 0.85451 0.24761 1.00000
Na2 Na 0.17442 0.14549 0.75240 1.00000
Tl1 Tl 0.54665 0.42191 0.24882 1.00000
Tl2 Tl 0.85726 0.77861 0.74670 1.00000
Tl3 Tl 0.14273 0.22139 0.25330 1.00000
Tl4 Tl 0.45334 0.57809 0.75118 1.00000
Pt1 Pt 0.45444 0.81388 0.05480 1.00000
Pt2 Pt 0.76777 0.18764 0.55473 1.00000
Pt3 Pt 0.54555 0.18612 0.94520 1.00000
Pt4 Pt 0.23223 0.81236 0.44527 1.00000
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