TbSm2Ho6Er
Alexandria ALEXAlex-ID: agm004983245 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
SmHo5 Tb(SmHo3)2 TbSmHoEr3
2022-08-02 19:15:00.695701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004983245).
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 agm004983245
data_agm004983245
_cell_length_a 9.60273
_cell_length_b 8.73551
_cell_length_c 8.73551
_cell_angle_alpha 118.08211
_cell_angle_beta 94.39085
_cell_angle_gamma 94.39085
_cell_volume 639.30841
_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
Tb1 Tb 0.25000 0.98000 0.02000 1.00000
Tb2 Tb 0.75000 0.02000 0.98000 1.00000
Sm1 Sm 0.45690 0.80482 0.70097 1.00000
Sm2 Sm 0.04310 0.29903 0.19518 1.00000
Sm3 Sm 0.54310 0.19518 0.29903 1.00000
Sm4 Sm 0.95690 0.70097 0.80482 1.00000
Ho1 Ho 0.05690 0.12490 0.74642 1.00000
Ho2 Ho 0.44310 0.25358 0.87510 1.00000
Ho3 Ho 0.94310 0.87510 0.25358 1.00000
Ho4 Ho 0.55690 0.74642 0.12490 1.00000
Ho5 Ho 0.31381 0.97964 0.42685 1.00000
Ho6 Ho 0.18619 0.57315 0.02036 1.00000
Ho7 Ho 0.68619 0.02036 0.57315 1.00000
Ho8 Ho 0.81381 0.42685 0.97964 1.00000
Ho9 Ho 0.11951 0.70807 0.49618 1.00000
Ho10 Ho 0.38049 0.50382 0.29193 1.00000
Ho11 Ho 0.88049 0.29193 0.50382 1.00000
Ho12 Ho 0.61951 0.49618 0.70807 1.00000
Er1 Er 0.25000 0.40768 0.59232 1.00000
Er2 Er 0.75000 0.59232 0.40768 1.00000
Get direct link