Sc4In3Hg4
Alexandria ALEXAlex-ID: agm005705308 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_216_spg71
ScIn2Hg ScHg
2023-06-29 22:54:35.532460
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705308).
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 agm005705308
data_agm005705308
_cell_length_a 3.40615
_cell_length_b 9.19956
_cell_length_c 9.88839
_cell_angle_alpha 117.71910
_cell_angle_beta 99.91749
_cell_angle_gamma 90.00000
_cell_volume 269.05255
_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
Sc1 Sc 0.74295 0.24295 0.48590 1.00000
Sc2 Sc 0.25705 0.75705 0.51410 1.00000
Sc3 Sc 0.50000 0.77510 1.00000 1.00000
Sc4 Sc 0.50000 0.22490 0.00000 1.00000
In1 In 0.90340 0.90340 0.80680 1.00000
In2 In 0.09660 0.09660 0.19320 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
Hg1 Hg 0.66478 0.46183 0.32956 1.00000
Hg2 Hg 0.33522 0.13226 0.67044 1.00000
Hg3 Hg 0.33522 0.53817 0.67044 1.00000
Hg4 Hg 0.66478 0.86774 0.32956 1.00000
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