CeAsN(O2F)2
Alexandria ALEXAlex-ID: agm005245207 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E4_51_spg11
Ce4F15 N2O CeAsO4F As2O5 NO2
2023-05-07 18:42:36.980949
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245207).
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 agm005245207
data_agm005245207
_cell_length_a 5.98929
_cell_length_b 7.14302
_cell_length_c 7.87732
_cell_angle_alpha 63.46461
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 301.50382
_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
Ce1 Ce 0.25000 0.59109 0.32184 1.00000
Ce2 Ce 0.75000 0.40891 0.67816 1.00000
As1 As 0.25000 0.22696 0.04494 1.00000
As2 As 0.75000 0.77304 0.95506 1.00000
N1 N 0.25000 0.91159 0.68384 1.00000
N2 N 0.75000 0.08841 0.31616 1.00000
O1 O 0.25000 0.96445 0.18955 1.00000
O2 O 0.75000 0.03555 0.81045 1.00000
O3 O 0.01746 0.29462 0.90329 1.00000
O4 O 0.51746 0.70538 0.09671 1.00000
O5 O 0.98254 0.70538 0.09671 1.00000
O6 O 0.48254 0.29462 0.90329 1.00000
O7 O 0.25000 0.35669 0.18146 1.00000
O8 O 0.75000 0.64331 0.81854 1.00000
F1 F 0.99978 0.32954 0.49723 1.00000
F2 F 0.49978 0.67046 0.50277 1.00000
F3 F 0.00022 0.67046 0.50277 1.00000
F4 F 0.50022 0.32954 0.49723 1.00000
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