Na2Tl2H5
Alexandria ALEXAlex-ID: agm007369855 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_870_spg12
NaH7 Tl NaH
2024-08-14 02:38:04.203163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007369855).
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 agm007369855
data_agm007369855
_cell_length_a 8.14838
_cell_length_b 8.14838
_cell_length_c 5.64461
_cell_angle_alpha 89.83570
_cell_angle_beta 89.83570
_cell_angle_gamma 23.60753
_cell_volume 150.08739
_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 0.69899 0.69899 0.76234 1.00000
Na2 Na 0.30101 0.30101 0.23766 1.00000
Tl1 Tl 0.91730 0.91730 0.74419 1.00000
Tl2 Tl 0.08270 0.08270 0.25581 1.00000
H1 H 0.82304 0.82304 0.98267 1.00000
H2 H 0.17696 0.17696 0.01733 1.00000
H3 H 0.83045 0.83045 0.50451 1.00000
H4 H 0.16955 0.16955 0.49549 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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