YTmN2
Alexandria ALEXAlex-ID: agm086620007 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_13967_spg2
TmN YN
2025-03-17 15:47:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm086620007).
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 agm086620007
data_agm086620007
_cell_length_a 5.95824
_cell_length_b 7.69446
_cell_length_c 8.42943
_cell_angle_alpha 111.41973
_cell_angle_beta 89.98791
_cell_angle_gamma 104.97413
_cell_volume 345.63277
_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 0.20861 0.37524 0.95787 1.00000
Y2 Y 0.79139 0.62476 0.04213 1.00000
Y3 Y 0.04104 0.87316 0.78939 1.00000
Y4 Y 0.95896 0.12684 0.21061 1.00000
Y5 Y 0.62455 0.12436 0.87365 1.00000
Y6 Y 0.37545 0.87564 0.12635 1.00000
Tm1 Tm 0.12552 0.62566 0.37629 1.00000
Tm2 Tm 0.87448 0.37434 0.62371 1.00000
Tm3 Tm 0.70800 0.87466 0.45880 1.00000
Tm4 Tm 0.29200 0.12534 0.54120 1.00000
Tm5 Tm 0.45764 0.62303 0.70606 1.00000
Tm6 Tm 0.54236 0.37697 0.29394 1.00000
N1 N 0.62421 0.12710 0.37869 1.00000
N2 N 0.37579 0.87290 0.62131 1.00000
N3 N 0.45821 0.62496 0.21290 1.00000
N4 N 0.54179 0.37504 0.78710 1.00000
N5 N 0.21044 0.37711 0.46051 1.00000
N6 N 0.78956 0.62289 0.53949 1.00000
N7 N 0.12569 0.62278 0.87114 1.00000
N8 N 0.87431 0.37722 0.12886 1.00000
N9 N 0.04158 0.87489 0.29620 1.00000
N10 N 0.95842 0.12511 0.70380 1.00000
N11 N 0.70625 0.87281 0.95607 1.00000
N12 N 0.29375 0.12719 0.04393 1.00000
