Er3(TmHg)4
Alexandria ALEXAlex-ID: agm003379996 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_53_spg71
ErTmHg Tm2Hg Er2TmHg3
2022-02-09 02:30:27.565462
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003379996).
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 agm003379996
data_agm003379996
_cell_length_a 5.13887
_cell_length_b 7.07645
_cell_length_c 9.36193
_cell_angle_alpha 112.20599
_cell_angle_beta 105.92959
_cell_angle_gamma 90.00000
_cell_volume 301.02775
_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 0.10208 0.10208 0.20416 1.00000
Er2 Er 0.89792 0.89792 0.79584 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
Tm1 Tm 0.32113 0.08625 0.64226 1.00000
Tm2 Tm 0.67887 0.44399 0.35774 1.00000
Tm3 Tm 0.67887 0.91375 0.35774 1.00000
Tm4 Tm 0.32113 0.55601 0.64226 1.00000
Hg1 Hg 0.18341 0.68341 0.36681 1.00000
Hg2 Hg 0.81659 0.31659 0.63319 1.00000
Hg3 Hg 0.50000 0.78960 0.00000 1.00000
Hg4 Hg 0.50000 0.21040 1.00000 1.00000
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