YTm5Cd6
Alexandria ALEXAlex-ID: agm067384792 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
YTm4Cd5 TmCd
2025-01-01 11:49:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067384792).
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 agm067384792
data_agm067384792
_cell_length_a 9.05794
_cell_length_b 9.05794
_cell_length_c 9.05794
_cell_angle_alpha 146.45227
_cell_angle_beta 131.42132
_cell_angle_gamma 60.32915
_cell_volume 305.10599
_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
Y1 Y 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.33398 0.83398 0.50000 1.00000
Tm2 Tm 0.16717 0.16717 0.00000 1.00000
Tm3 Tm 0.00000 0.50000 0.50000 1.00000
Tm4 Tm 0.83283 0.83283 0.00000 1.00000
Tm5 Tm 0.66602 0.16602 0.50000 1.00000
Cd1 Cd 0.92025 0.66771 0.25254 1.00000
Cd2 Cd 0.41517 0.66771 0.74746 1.00000
Cd3 Cd 0.75516 0.00000 0.75516 1.00000
Cd4 Cd 0.24484 0.00000 0.24484 1.00000
Cd5 Cd 0.58483 0.33229 0.25254 1.00000
Cd6 Cd 0.07975 0.33229 0.74746 1.00000
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