Sr3(HgAs)4
Alexandria ALEXAlex-ID: agm009698277 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_56_spg71
Sr3As4 Hg
2024-03-22 08:16:31.445057
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009698277).
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 agm009698277
data_agm009698277
_cell_length_a 4.41880
_cell_length_b 4.47187
_cell_length_c 16.55305
_cell_angle_alpha 86.97811
_cell_angle_beta 98.48615
_cell_angle_gamma 90.00089
_cell_volume 323.05269
_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
Sr1 Sr 0.32623 0.11435 0.68319 1.00000
Sr2 Sr 0.67377 0.88565 0.31681 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.90375 0.60120 0.82419 1.00000
Hg2 Hg 0.75285 0.24632 0.50685 1.00000
Hg3 Hg 0.24715 0.75368 0.49315 1.00000
Hg4 Hg 0.09625 0.39880 0.17581 1.00000
As1 As 0.45854 0.47492 0.92410 1.00000
As2 As 0.54146 0.52508 0.07590 1.00000
As3 As 0.18456 0.38171 0.33461 1.00000
As4 As 0.81544 0.61829 0.66539 1.00000
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