MnHgC4(SeN)4
Alexandria ALEXAlex-ID: agm005282083 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D4E4_1_spg82
HgSeN2 Mn(SeN)2 Se2N HgSe C
2023-05-06 17:23:22.483032
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282083).
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 agm005282083
data_agm005282083
_cell_length_a 8.57386
_cell_length_b 8.57386
_cell_length_c 8.57386
_cell_angle_alpha 95.54028
_cell_angle_beta 95.54028
_cell_angle_gamma 143.79503
_cell_volume 353.85944
_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
Mn1 Mn 0.25000 0.75000 0.50000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
C1 C 0.83875 0.61747 0.65621 1.00000
C2 C 0.81746 0.16125 0.77872 1.00000
C3 C 0.38253 0.03874 0.22128 1.00000
C4 C 0.96126 0.18254 0.34379 1.00000
Se1 Se 0.59716 0.53534 0.73552 1.00000
Se2 Se 0.13836 0.40284 0.93818 1.00000
Se3 Se 0.46466 0.20018 0.06182 1.00000
Se4 Se 0.79982 0.86164 0.26448 1.00000
N1 N 0.33358 0.93376 0.32472 1.00000
N2 N 0.99115 0.66642 0.60018 1.00000
N3 N 0.06624 0.39096 0.39982 1.00000
N4 N 0.60904 0.00885 0.67528 1.00000
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