Pm3(TmSc2)2
Alexandria ALEXAlex-ID: agm005651248 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1196_spg2
Pm PmTm2 Sc
2023-06-28 07:58:22.308772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651248).
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 agm005651248
data_agm005651248
_cell_length_a 6.56379
_cell_length_b 10.65799
_cell_length_c 9.33410
_cell_angle_alpha 72.63390
_cell_angle_beta 60.39580
_cell_angle_gamma 68.22907
_cell_volume 521.84908
_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
Pm1 Pm 0.83184 0.96938 0.81419 1.00000
Pm2 Pm 0.49207 0.29607 0.83206 1.00000
Pm3 Pm 0.16816 0.03062 0.18581 1.00000
Pm4 Pm 0.50793 0.70393 0.16794 1.00000
Pm5 Pm 0.26582 0.44861 0.52160 1.00000
Pm6 Pm 0.73418 0.55139 0.47840 1.00000
Tm1 Tm 0.37886 0.87457 0.83220 1.00000
Tm2 Tm 0.85460 0.36825 0.16352 1.00000
Tm3 Tm 0.62114 0.12543 0.16780 1.00000
Tm4 Tm 0.14540 0.63175 0.83648 1.00000
Sc1 Sc 0.59638 0.11604 0.52187 1.00000
Sc2 Sc 0.04712 0.20913 0.83273 1.00000
Sc3 Sc 0.40362 0.88396 0.47813 1.00000
Sc4 Sc 0.95288 0.79087 0.16727 1.00000
Sc5 Sc 0.92864 0.78815 0.52371 1.00000
Sc6 Sc 0.29240 0.45925 0.16133 1.00000
Sc7 Sc 0.07136 0.21185 0.47629 1.00000
Sc8 Sc 0.70760 0.54075 0.83867 1.00000
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