Ho4Tl2H
Alexandria ALEXAlex-ID: agm003447628 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_206_spg11
Ho2TlH Ho9Tl4 Ho5Tl3
2022-02-17 17:26:27.185820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003447628).
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 agm003447628
data_agm003447628
_cell_length_a 6.12741
_cell_length_b 6.70865
_cell_length_c 9.25685
_cell_angle_alpha 90.00000
_cell_angle_beta 112.09036
_cell_angle_gamma 90.00000
_cell_volume 352.58486
_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
Ho1 Ho 0.53134 0.49969 0.26813 1.00000
Ho2 Ho 0.10986 0.75000 0.92970 1.00000
Ho3 Ho 0.89014 0.25000 0.07030 1.00000
Ho4 Ho 0.53134 0.00031 0.26813 1.00000
Ho5 Ho 0.90782 0.25000 0.62729 1.00000
Ho6 Ho 0.46866 0.99969 0.73187 1.00000
Ho7 Ho 0.46866 0.50031 0.73187 1.00000
Ho8 Ho 0.09218 0.75000 0.37271 1.00000
Tl1 Tl 0.69744 0.75000 0.04206 1.00000
Tl2 Tl 0.30256 0.25000 0.95794 1.00000
Tl3 Tl 0.21309 0.25000 0.42028 1.00000
Tl4 Tl 0.78691 0.75000 0.57972 1.00000
H1 H 0.27337 0.75000 0.19940 1.00000
H2 H 0.72663 0.25000 0.80060 1.00000
Get direct link