YTm6Sc
Alexandria ALEXAlex-ID: agm005758026 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_724_spg2
YTm7 YTm2 Sc
2023-07-25 02:52:14.722173
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758026).
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 agm005758026
data_agm005758026
_cell_length_a 6.65364
_cell_length_b 6.41060
_cell_length_c 6.69896
_cell_angle_alpha 77.48494
_cell_angle_beta 61.84135
_cell_angle_gamma 92.27689
_cell_volume 242.56202
_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 0.00000 0.50000 0.00000 1.00000
Tm1 Tm 0.09452 0.77411 0.46727 1.00000
Tm2 Tm 0.58093 0.73946 0.50883 1.00000
Tm3 Tm 0.41907 0.26054 0.49117 1.00000
Tm4 Tm 0.90548 0.22589 0.53273 1.00000
Tm5 Tm 0.55905 0.75247 0.99655 1.00000
Tm6 Tm 0.44095 0.24753 0.00345 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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