Y2(TmNp3)3
Alexandria ALEXAlex-ID: agm012298484 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1629_spg2
Y5Tm YTm2 Np
2024-06-29 01:13:35.869401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012298484).
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 agm012298484
data_agm012298484
_cell_length_a 6.10544
_cell_length_b 7.78609
_cell_length_c 9.73977
_cell_angle_alpha 89.61573
_cell_angle_beta 93.56825
_cell_angle_gamma 132.91137
_cell_volume 338.04745
_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 0.55103 0.02660 0.82427 1.00000
Y2 Y 0.44897 0.97340 0.17573 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.66600 0.52646 0.19850 1.00000
Tm3 Tm 0.33400 0.47354 0.80150 1.00000
Np1 Np 0.50000 0.00000 0.50000 1.00000
Np2 Np 0.38354 0.23364 0.55225 1.00000
Np3 Np 0.61646 0.76636 0.44775 1.00000
Np4 Np 0.09882 0.45829 0.10839 1.00000
Np5 Np 0.90118 0.54171 0.89161 1.00000
Np6 Np 0.91343 0.54719 0.63906 1.00000
Np7 Np 0.08657 0.45281 0.36094 1.00000
Np8 Np 0.94193 0.87046 0.65686 1.00000
Np9 Np 0.05807 0.12954 0.34314 1.00000
Get direct link