Ba3Ce2N4
Alexandria ALEXAlex-ID: agm005642695 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_992_spg12
BaCeN2 Ba2N CeN
2023-06-27 19:47:13.396752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642695).
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 agm005642695
data_agm005642695
_cell_length_a 3.98188
_cell_length_b 6.99545
_cell_length_c 8.45058
_cell_angle_alpha 79.92108
_cell_angle_beta 76.37312
_cell_angle_gamma 73.46476
_cell_volume 217.82714
_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
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Ba2 Ba 0.18104 0.43222 0.20569 1.00000
Ba3 Ba 0.81896 0.56778 0.79431 1.00000
Ce1 Ce 0.61559 0.15121 0.61761 1.00000
Ce2 Ce 0.38441 0.84879 0.38239 1.00000
N1 N 0.80425 0.03622 0.35527 1.00000
N2 N 0.19575 0.96378 0.64473 1.00000
N3 N 0.43037 0.28529 0.85397 1.00000
N4 N 0.56963 0.71471 0.14603 1.00000
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