Tl2H7Cl
Alexandria ALEXAlex-ID: agm006204238 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1022_spg1
TlH4Cl TlH3
2024-02-01 07:31:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204238).
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 agm006204238
data_agm006204238
_cell_length_a 3.84981
_cell_length_b 8.98795
_cell_length_c 9.84464
_cell_angle_alpha 118.43603
_cell_angle_beta 67.11534
_cell_angle_gamma 64.42178
_cell_volume 178.87229
_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
H1 H 0.13565 0.85442 0.27434 1.00000
H2 H 0.59750 0.89436 0.78089 1.00000
H3 H 0.82090 0.63569 0.80831 1.00000
H4 H 0.77348 0.28317 0.27592 1.00000
H5 H 0.71821 0.66154 0.39010 1.00000
H6 H 0.73991 0.23942 0.32382 1.00000
H7 H 0.92550 0.52919 0.79132 1.00000
Tl1 Tl 0.16478 0.87610 0.73185 1.00000
Tl2 Tl 0.67730 0.80376 0.28368 1.00000
Cl1 Cl 0.67917 0.27973 0.80795 1.00000
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