La(SeN2)2
Alexandria ALEXAlex-ID: agm096282804 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_560_spg139
La10Se19 SeN N2
2025-04-12 06:34:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096282804).
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 agm096282804
data_agm096282804
_cell_length_a 4.98726
_cell_length_b 6.01587
_cell_length_c 6.53434
_cell_angle_alpha 101.44407
_cell_angle_beta 88.69835
_cell_angle_gamma 100.89501
_cell_volume 188.66466
_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
La1 La 0.94850 0.47071 0.95869 1.00000
Se1 Se 0.09328 0.99064 0.89539 1.00000
Se2 Se 0.62857 0.01332 0.76002 1.00000
N1 N 0.46767 0.53658 0.89419 1.00000
N2 N 0.94779 0.47099 0.37142 1.00000
N3 N 0.95064 0.47083 0.54308 1.00000
N4 N 0.46355 0.54693 0.07722 1.00000
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