Ac4Sb(SeN)2
Alexandria ALEXAlex-ID: agm004559628 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_191_spg12
Ac4Se3N2 Ac2SeN2 AcSb
2022-06-19 17:59:05.312144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004559628).
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 agm004559628
data_agm004559628
_cell_length_a 4.11836
_cell_length_b 9.29578
_cell_length_c 9.35513
_cell_angle_alpha 122.25323
_cell_angle_beta 90.00000
_cell_angle_gamma 102.79817
_cell_volume 292.30788
_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
Ac1 Ac 0.77093 0.54187 0.85406 1.00000
Ac2 Ac 0.22907 0.45813 0.14594 1.00000
Ac3 Ac 0.47554 0.95109 0.26865 1.00000
Ac4 Ac 0.52446 0.04891 0.73135 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.88583 0.77166 0.42766 1.00000
Se2 Se 0.11417 0.22834 0.57234 1.00000
N1 N 0.32656 0.65312 0.03937 1.00000
N2 N 0.67344 0.34688 0.96063 1.00000
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