Ce2Er3Ti2
Alexandria ALEXAlex-ID: agm009092932 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_34_spg12
Ce Er Ti
2024-06-02 01:03:44.758860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009092932).
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 agm009092932
data_agm009092932
_cell_length_a 3.31792
_cell_length_b 8.61177
_cell_length_c 8.73706
_cell_angle_alpha 129.05120
_cell_angle_beta 79.32750
_cell_angle_gamma 112.46734
_cell_volume 178.61754
_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 0.56730 0.28319 0.43263 1.00000
Ce2 Ce 0.43270 0.71681 0.56737 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.12977 0.55561 0.85715 1.00000
Er3 Er 0.87023 0.44439 0.14285 1.00000
Ti1 Ti 0.27907 0.11670 0.67742 1.00000
Ti2 Ti 0.72093 0.88330 0.32258 1.00000
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