Ce2Tm3Ru4
Alexandria ALEXAlex-ID: agm005664073 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1099_spg15
Ce(TmRu)3 CeRu
2023-06-28 05:12:18.105175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664073).
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 agm005664073
data_agm005664073
_cell_length_a 5.86359
_cell_length_b 8.62682
_cell_length_c 8.62682
_cell_angle_alpha 63.93199
_cell_angle_beta 84.49039
_cell_angle_gamma 84.49054
_cell_volume 389.47054
_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 0.42264 0.81311 0.59485 1.00000
Ce2 Ce 0.07736 0.40515 0.18689 1.00000
Ce3 Ce 0.57736 0.18689 0.40515 1.00000
Ce4 Ce 0.92264 0.59485 0.81311 1.00000
Tm1 Tm 0.91713 0.00243 0.80076 1.00000
Tm2 Tm 0.58287 0.19924 0.99757 1.00000
Tm3 Tm 0.08287 0.99757 0.19924 1.00000
Tm4 Tm 0.41713 0.80076 0.00243 1.00000
Tm5 Tm 0.25000 0.57174 0.42826 1.00000
Tm6 Tm 0.75000 0.42826 0.57174 1.00000
Ru1 Ru 0.41425 0.15902 0.70989 1.00000
Ru2 Ru 0.08575 0.29011 0.84098 1.00000
Ru3 Ru 0.58575 0.84098 0.29011 1.00000
Ru4 Ru 0.91425 0.70989 0.15902 1.00000
Ru5 Ru 0.91636 0.83278 0.53985 1.00000
Ru6 Ru 0.58364 0.46015 0.16722 1.00000
Ru7 Ru 0.08364 0.16722 0.46015 1.00000
Ru8 Ru 0.41636 0.53985 0.83278 1.00000
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