Ce2ZrGeN5
Alexandria ALEXAlex-ID: agm005149663 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
CeZr4N6 Ce3N4 Ge Ge3N4
2023-01-16 19:25:11.093789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149663).
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 agm005149663
data_agm005149663
_cell_length_a 3.29713
_cell_length_b 7.15300
_cell_length_c 10.40669
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.32488
_cell_volume 238.82815
_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 0.86489 0.72978 0.78345 1.00000
Ce2 Ce 0.12250 0.24500 0.70771 1.00000
Ce3 Ce 0.13511 0.27022 0.28345 1.00000
Ce4 Ce 0.87750 0.75500 0.20771 1.00000
Zr1 Zr 0.78151 0.56301 0.50150 1.00000
Zr2 Zr 0.21849 0.43699 0.00150 1.00000
Ge1 Ge 0.50460 0.00919 0.97466 1.00000
Ge2 Ge 0.49540 0.99081 0.47466 1.00000
N1 N 0.37046 0.74093 0.01157 1.00000
N2 N 0.70192 0.40384 0.85812 1.00000
N3 N 0.49801 0.99602 0.79280 1.00000
N4 N 0.28717 0.57433 0.64961 1.00000
N5 N 0.94704 0.89409 0.54454 1.00000
N6 N 0.62954 0.25907 0.51157 1.00000
N7 N 0.29808 0.59616 0.35812 1.00000
N8 N 0.50199 0.00398 0.29280 1.00000
N9 N 0.71283 0.42567 0.14961 1.00000
N10 N 0.05296 0.10591 0.04454 1.00000
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