YTm3Ir
Alexandria ALEXAlex-ID: agm003719084 · Space group: Pmn2_1 (#31)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5980_spg31
Y15Tm Tm5Ir2 Tm3Ir
2022-04-18 04:11:13.610340
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003719084).
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 agm003719084
data_agm003719084
_cell_length_a 6.10604
_cell_length_b 6.48735
_cell_length_c 7.50959
_cell_angle_alpha 90.00389
_cell_angle_beta 89.99739
_cell_angle_gamma 90.00124
_cell_volume 297.46987
_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 0.42938 0.32754 0.70083 1.00000
Y2 Y 0.92936 0.02524 0.20075 1.00000
Tm1 Tm 0.42198 0.32858 0.20083 1.00000
Tm2 Tm 0.42638 0.86286 0.95107 1.00000
Tm3 Tm 0.92634 0.48993 0.45108 1.00000
Tm4 Tm 0.92204 0.02420 0.70076 1.00000
Tm5 Tm 0.92643 0.48993 0.95048 1.00000
Tm6 Tm 0.42638 0.86285 0.45044 1.00000
Ir1 Ir 0.17399 0.68040 0.70073 1.00000
Ir2 Ir 0.67396 0.67236 0.20073 1.00000
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