Na3Sr7Hg2
Alexandria ALEXAlex-ID: agm101763542 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_633_spg1
Sr4Hg3 Na Sr
2025-05-17 04:56:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101763542).
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 agm101763542
data_agm101763542
_cell_length_a 9.24316
_cell_length_b 9.24322
_cell_length_c 11.53176
_cell_angle_alpha 61.27898
_cell_angle_beta 61.27911
_cell_angle_gamma 36.63149
_cell_volume 506.97973
_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
Na1 Na 0.08327 0.91673 1.00000 1.00000
Na2 Na 0.91896 0.75233 0.49333 1.00000
Na3 Na 0.24765 0.08105 0.50667 1.00000
Sr1 Sr 0.58331 0.41669 0.50000 1.00000
Sr2 Sr 0.84460 0.67791 0.19715 1.00000
Sr3 Sr 0.19360 0.02691 0.19504 1.00000
Sr4 Sr 0.51045 0.34378 0.21161 1.00000
Sr5 Sr 0.97309 0.80641 0.80496 1.00000
Sr6 Sr 0.65622 0.48954 0.78839 1.00000
Sr7 Sr 0.32211 0.15538 0.80285 1.00000
Hg1 Hg 0.73894 0.57220 0.00386 1.00000
Hg2 Hg 0.42779 0.26107 0.99614 1.00000
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