Tb4Sm3Hf2
Alexandria ALEXAlex-ID: agm012018806 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1282_spg2
Tb2Sm Sm Hf
2024-07-13 16:23:30.149491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012018806).
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
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# CIF generated by HEAS from Alexandria entry agm012018806
data_agm012018806
_cell_length_a 7.86162
_cell_length_b 7.86162
_cell_length_c 10.40398
_cell_angle_alpha 77.15654
_cell_angle_beta 77.15654
_cell_angle_gamma 25.31186
_cell_volume 267.68946
_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 0.66069 0.66069 0.62308 1.00000
Tb2 Tb 0.33931 0.33931 0.37692 1.00000
Tb3 Tb 0.34617 0.34617 0.05063 1.00000
Tb4 Tb 0.65383 0.65383 0.94937 1.00000
Sm1 Sm 0.66069 0.66069 0.26965 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Sm3 Sm 0.33931 0.33931 0.73035 1.00000
Hf1 Hf 0.00211 0.00211 0.84298 1.00000
Hf2 Hf 0.99789 0.99789 0.15702 1.00000
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