Ce2Tm2Th
Alexandria ALEXAlex-ID: agm005963749 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_386_spg12
Tm2Th Ce
2023-08-03 13:41:27.104411
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963749).
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 agm005963749
data_agm005963749
_cell_length_a 3.48824
_cell_length_b 6.00474
_cell_length_c 7.78101
_cell_angle_alpha 76.07308
_cell_angle_beta 77.04904
_cell_angle_gamma 73.11662
_cell_volume 149.26993
_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 0.60855 0.18529 0.59756 1.00000
Ce2 Ce 0.39145 0.81471 0.40244 1.00000
Tm1 Tm 0.80346 0.59414 0.79892 1.00000
Tm2 Tm 0.19654 0.40586 0.20108 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
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