Tm12Zr2Sc5
Alexandria ALEXAlex-ID: agm003371069 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_28_spg12
ZrSc2 Tm Sc
2022-02-08 09:00:23.077606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003371069).
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 agm003371069
data_agm003371069
_cell_length_a 8.92958
_cell_length_b 8.65738
_cell_length_c 8.16944
_cell_angle_alpha 90.80598
_cell_angle_beta 90.00000
_cell_angle_gamma 121.04563
_cell_volume 541.01473
_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 0.91237 0.82473 0.11795 1.00000
Tm2 Tm 0.03115 0.69500 0.76674 1.00000
Tm3 Tm 0.66385 0.69500 0.76674 1.00000
Tm4 Tm 0.17620 0.74569 0.33571 1.00000
Tm5 Tm 0.56948 0.74569 0.33571 1.00000
Tm6 Tm 0.44143 0.88286 0.67387 1.00000
Tm7 Tm 0.55857 0.11714 0.32613 1.00000
Tm8 Tm 0.82380 0.25431 0.66429 1.00000
Tm9 Tm 0.43052 0.25431 0.66429 1.00000
Tm10 Tm 0.96885 0.30500 0.23326 1.00000
Tm11 Tm 0.33615 0.30500 0.23326 1.00000
Tm12 Tm 0.08763 0.17527 0.88205 1.00000
Zr1 Zr 0.66777 0.00000 1.00000 1.00000
Zr2 Zr 0.33223 1.00000 0.00000 1.00000
Sc1 Sc 0.23094 0.46188 0.56961 1.00000
Sc2 Sc 0.30805 0.61610 0.98602 1.00000
Sc3 Sc 0.00000 0.00000 0.50000 1.00000
Sc4 Sc 0.69195 0.38390 0.01398 1.00000
Sc5 Sc 0.76906 0.53812 0.43039 1.00000
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