Tm9Sc3(CoBi2)2
Alexandria ALEXAlex-ID: agm016331963 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D9_9_spg6
Tm5CoBi2 Tm3Sc3CoBi2 Tm
2024-12-29 23:16:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016331963).
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 agm016331963
data_agm016331963
_cell_length_a 8.17490
_cell_length_b 4.04723
_cell_length_c 14.01083
_cell_angle_alpha 90.00000
_cell_angle_beta 90.17505
_cell_angle_gamma 90.00000
_cell_volume 463.55578
_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 0.11552 0.00000 0.88735 1.00000
Tm2 Tm 0.11585 0.00000 0.11445 1.00000
Tm3 Tm 0.61382 0.00000 0.61075 1.00000
Tm4 Tm 0.89092 0.50000 0.49827 1.00000
Tm5 Tm 0.40431 0.50000 0.00180 1.00000
Tm6 Tm 0.80827 0.50000 0.19210 1.00000
Tm7 Tm 0.30663 0.50000 0.69192 1.00000
Tm8 Tm 0.31218 0.50000 0.31194 1.00000
Tm9 Tm 0.80819 0.50000 0.80891 1.00000
Sc1 Sc 0.27357 0.00000 0.49990 1.00000
Sc2 Sc 0.76732 0.00000 0.00059 1.00000
Sc3 Sc 0.61558 0.00000 0.38668 1.00000
Co1 Co 0.96915 0.50000 0.00141 1.00000
Co2 Co 0.48717 0.50000 0.49035 1.00000
Bi1 Bi 0.00109 0.00000 0.33553 1.00000
Bi2 Bi 0.50264 0.00000 0.83354 1.00000
Bi3 Bi 0.50469 0.00000 0.16987 1.00000
Bi4 Bi 0.00331 0.00000 0.66465 1.00000
Get direct link