Tb4Hg2H
Alexandria ALEXAlex-ID: agm003447705 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1015_spg11
Tb2HgH2 Tb2Hg
2022-02-17 17:48:21.616599
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003447705).
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 agm003447705
data_agm003447705
_cell_length_a 6.86843
_cell_length_b 6.79476
_cell_length_c 7.88128
_cell_angle_alpha 90.00000
_cell_angle_beta 105.88313
_cell_angle_gamma 90.00000
_cell_volume 353.77134
_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
Tb1 Tb 0.53514 0.50575 0.26839 1.00000
Tb2 Tb 0.12256 0.75000 0.92245 1.00000
Tb3 Tb 0.87744 0.25000 0.07755 1.00000
Tb4 Tb 0.53514 0.99425 0.26839 1.00000
Tb5 Tb 0.91339 0.25000 0.61603 1.00000
Tb6 Tb 0.46486 0.00575 0.73161 1.00000
Tb7 Tb 0.46486 0.49425 0.73161 1.00000
Tb8 Tb 0.08661 0.75000 0.38397 1.00000
Hg1 Hg 0.73275 0.75000 0.03051 1.00000
Hg2 Hg 0.26725 0.25000 0.96949 1.00000
Hg3 Hg 0.23655 0.25000 0.40335 1.00000
Hg4 Hg 0.76345 0.75000 0.59665 1.00000
H1 H 0.29682 0.75000 0.20708 1.00000
H2 H 0.70318 0.25000 0.79292 1.00000
Get direct link