Tm3ScCd
Alexandria ALEXAlex-ID: agm005772659 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6477_spg12
Tm2Cd Tm Sc
2023-07-05 17:02:02.713760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772659).
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 agm005772659
data_agm005772659
_cell_length_a 3.42320
_cell_length_b 7.99096
_cell_length_c 10.75302
_cell_angle_alpha 107.19893
_cell_angle_beta 99.15896
_cell_angle_gamma 89.99999
_cell_volume 277.06428
_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 0.01461 0.22460 0.02923 1.00000
Tm2 Tm 0.98539 0.77540 0.97077 1.00000
Tm3 Tm 0.37641 0.95487 0.75282 1.00000
Tm4 Tm 0.62359 0.04513 0.24718 1.00000
Tm5 Tm 0.17703 0.44343 0.35406 1.00000
Tm6 Tm 0.82297 0.55657 0.64594 1.00000
Sc1 Sc 0.73222 0.82138 0.46444 1.00000
Sc2 Sc 0.26778 0.17862 0.53556 1.00000
Cd1 Cd 0.57908 0.60222 0.15816 1.00000
Cd2 Cd 0.42092 0.39778 0.84184 1.00000
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