ErTm7Hg4
Alexandria ALEXAlex-ID: agm003669769 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
ErTmHg Tm2Hg
2022-04-08 22:23:10.096013
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669769).
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 agm003669769
data_agm003669769
_cell_length_a 5.62270
_cell_length_b 8.86358
_cell_length_c 7.73879
_cell_angle_alpha 70.34624
_cell_angle_beta 68.69820
_cell_angle_gamma 71.50753
_cell_volume 329.93345
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.79145 0.88459 0.53251 1.00000
Tm2 Tm 0.20855 0.11541 0.46749 1.00000
Tm3 Tm 0.06746 0.59355 0.27154 1.00000
Tm4 Tm 0.93254 0.40645 0.72846 1.00000
Tm5 Tm 0.26547 0.68717 0.78188 1.00000
Tm6 Tm 0.50000 0.00000 0.00000 1.00000
Tm7 Tm 0.73453 0.31283 0.21812 1.00000
Hg1 Hg 0.54695 0.27582 0.63028 1.00000
Hg2 Hg 0.45305 0.72418 0.36972 1.00000
Hg3 Hg 0.68879 0.66076 0.96167 1.00000
Hg4 Hg 0.31121 0.33924 0.03833 1.00000
Get direct link