Sc2Hg3Bi2
Alexandria ALEXAlex-ID: agm010059539 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_505_spg12
Hg ScBi
2024-04-01 02:16:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010059539).
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
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# CIF generated by HEAS from Alexandria entry agm010059539
data_agm010059539
_cell_length_a 5.03984
_cell_length_b 5.03984
_cell_length_c 8.56774
_cell_angle_alpha 74.42515
_cell_angle_beta 74.42515
_cell_angle_gamma 59.26393
_cell_volume 177.90374
_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 0.72831 0.72831 0.82093 1.00000
Sc2 Sc 0.27169 0.27169 0.17907 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.59639 0.59639 0.20187 1.00000
Hg3 Hg 0.40361 0.40361 0.79813 1.00000
Bi1 Bi 0.13554 0.13554 0.59713 1.00000
Bi2 Bi 0.86446 0.86446 0.40287 1.00000
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