CeTmTh4
Alexandria ALEXAlex-ID: agm005776442 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1619_spg12
Tm2Th Th CeTh3
2023-07-27 20:58:51.802272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776442).
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 agm005776442
data_agm005776442
_cell_length_a 3.54400
_cell_length_b 6.12766
_cell_length_c 9.35368
_cell_angle_alpha 109.36321
_cell_angle_beta 100.92034
_cell_angle_gamma 90.00000
_cell_volume 187.73537
_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 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.66674 0.33334 0.33349 1.00000
Th2 Th 0.83397 0.16745 0.66793 1.00000
Th3 Th 0.33326 0.66666 0.66651 1.00000
Th4 Th 0.16603 0.83255 0.33207 1.00000
