Sr4HgN2
Alexandria ALEXAlex-ID: agm096407044 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_21_spg44
Sr2HgN Sr2N
2025-04-11 10:37:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096407044).
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 agm096407044
data_agm096407044
_cell_length_a 3.75467
_cell_length_b 5.32303
_cell_length_c 10.12819
_cell_angle_alpha 74.75059
_cell_angle_beta 100.13002
_cell_angle_gamma 89.98704
_cell_volume 192.02178
_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 0.88892 0.10308 0.00752 1.00000
Sr2 Sr 0.71501 0.28668 0.64114 1.00000
Sr3 Sr 0.11089 0.89694 0.42101 1.00000
Sr4 Sr 0.28471 0.71338 0.78739 1.00000
Hg1 Hg 0.50069 0.49984 0.21440 1.00000
N1 N 0.30502 0.19192 0.83010 1.00000
N2 N 0.69476 0.80815 0.59844 1.00000
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