Ce2ErTh3
Alexandria ALEXAlex-ID: agm005679155 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2260_spg15
Ce3Th Er2Th CeTh3
2023-08-29 13:36:03.146431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679155).
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 agm005679155
data_agm005679155
_cell_length_a 7.26040
_cell_length_b 11.59879
_cell_length_c 7.66692
_cell_angle_alpha 139.14944
_cell_angle_beta 108.64922
_cell_angle_gamma 89.99999
_cell_volume 368.40074
_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 0.77968 0.39995 0.30034 1.00000
Ce2 Ce 0.22032 0.60005 0.69966 1.00000
Ce3 Ce 0.27968 0.90039 0.30034 1.00000
Ce4 Ce 0.72032 0.09961 0.69966 1.00000
Er1 Er 0.25000 0.25240 0.00000 1.00000
Er2 Er 0.75000 0.74760 1.00000 1.00000
Th1 Th 0.00720 0.16524 0.33788 1.00000
Th2 Th 0.49280 0.82737 0.66212 1.00000
Th3 Th 0.00000 0.50000 0.00000 1.00000
Th4 Th 0.50000 0.50000 0.00000 1.00000
Th5 Th 0.99280 0.83476 0.66212 1.00000
Th6 Th 0.50720 0.17263 0.33788 1.00000
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