Tm2PuSc6
Alexandria ALEXAlex-ID: agm005651396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1792_spg12
Tm Pu Sc
2023-07-12 22:32:09.633509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651396).
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 agm005651396
data_agm005651396
_cell_length_a 3.33950
_cell_length_b 8.21153
_cell_length_c 10.62823
_cell_angle_alpha 126.03302
_cell_angle_beta 80.96089
_cell_angle_gamma 89.98215
_cell_volume 231.18882
_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 0.40673 0.85077 0.18633 1.00000
Tm2 Tm 0.59327 0.14923 0.81367 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.92346 0.48252 0.15316 1.00000
Sc2 Sc 0.07654 0.51748 0.84684 1.00000
Sc3 Sc 0.66737 0.66241 0.66537 1.00000
Sc4 Sc 0.73915 0.18772 0.52147 1.00000
Sc5 Sc 0.26085 0.81228 0.47853 1.00000
Sc6 Sc 0.33263 0.33759 0.33463 1.00000
Get direct link