Pm3Tm4Sc
Alexandria ALEXAlex-ID: agm005995706 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_380_spg71
Pm PmTm2 Sc
2023-10-05 08:14:16.136328
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995706).
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 agm005995706
data_agm005995706
_cell_length_a 3.45781
_cell_length_b 11.50632
_cell_length_c 8.70053
_cell_angle_alpha 131.39760
_cell_angle_beta 100.33731
_cell_angle_gamma 89.89940
_cell_volume 252.23141
_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
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
Tm1 Tm 0.65150 0.37591 0.26764 1.00000
Tm2 Tm 0.34850 0.62409 0.73236 1.00000
Tm3 Tm 0.34935 0.10783 0.73216 1.00000
Tm4 Tm 0.65065 0.89217 0.26784 1.00000
Pm1 Pm 0.00000 0.50000 0.00000 1.00000
Pm2 Pm 0.75611 0.75931 0.51873 1.00000
Pm3 Pm 0.24389 0.24069 0.48127 1.00000
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