TmTh2MnSb4
Alexandria ALEXAlex-ID: agm013430596 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_41_spg42
ThSb2 Th3Sb4 TmSb Mn
2024-05-30 03:02:46.683053
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013430596).
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 agm013430596
data_agm013430596
_cell_length_a 7.65589
_cell_length_b 7.65589
_cell_length_c 7.65589
_cell_angle_alpha 131.79933
_cell_angle_beta 131.79933
_cell_angle_gamma 70.54614
_cell_volume 244.33721
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.25000 0.75000 0.50000 1.00000
Th2 Th 0.75000 0.25000 0.50000 1.00000
Mn1 Mn 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.50000 0.00000 0.50000 1.00000
Sb3 Sb 0.25368 0.25368 0.00000 1.00000
Sb4 Sb 0.74632 0.74632 0.00000 1.00000
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