YTm3
Alexandria ALEXAlex-ID: agm017277438 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_4419_spg12
YTm7 YTm2
2025-02-22 13:36:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017277438).
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 agm017277438
data_agm017277438
_cell_length_a 6.61833
_cell_length_b 7.17407
_cell_length_c 8.32820
_cell_angle_alpha 89.96856
_cell_angle_beta 102.26606
_cell_angle_gamma 105.73303
_cell_volume 371.23777
_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 0.55356 0.51186 0.80458 1.00000
Y2 Y 0.21882 0.17620 0.47235 1.00000
Y3 Y 0.44217 0.48424 0.19482 1.00000
Tm1 Tm 0.10860 0.65123 0.85963 1.00000
Tm2 Tm 0.55223 0.01088 0.80641 1.00000
Tm3 Tm 0.10546 0.14849 0.86190 1.00000
Tm4 Tm 0.77688 0.31631 0.52804 1.00000
Tm5 Tm 0.21731 0.67914 0.47135 1.00000
Tm6 Tm 0.88865 0.84529 0.13835 1.00000
Tm7 Tm 0.88631 0.34482 0.13832 1.00000
Tm8 Tm 0.44426 0.98358 0.19325 1.00000
Tm9 Tm 0.77373 0.81764 0.52756 1.00000
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