Tm2Th2Np5
Alexandria ALEXAlex-ID: agm009677635 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1644_spg10
Tm2Th Th Np
2024-04-06 15:01:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009677635).
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
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# CIF generated by HEAS from Alexandria entry agm009677635
data_agm009677635
_cell_length_a 3.53815
_cell_length_b 5.69887
_cell_length_c 11.21619
_cell_angle_alpha 92.32328
_cell_angle_beta 100.71697
_cell_angle_gamma 87.98902
_cell_volume 221.94220
_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
Tm1 Tm 0.90453 0.62016 0.69042 1.00000
Tm2 Tm 0.09547 0.37984 0.30958 1.00000
Th1 Th 0.40093 0.12011 0.77146 1.00000
Th2 Th 0.59907 0.87989 0.22854 1.00000
Np1 Np 0.27578 0.38722 0.04602 1.00000
Np2 Np 0.72422 0.61278 0.95398 1.00000
Np3 Np 0.75073 0.13698 0.51604 1.00000
Np4 Np 0.24927 0.86302 0.48396 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
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