TmNp2S3
Alexandria ALEXAlex-ID: agm005758087 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
NpS Tm2S3 Np2S
2023-08-25 05:34:37.409232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758087).
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 agm005758087
data_agm005758087
_cell_length_a 5.47245
_cell_length_b 7.74750
_cell_length_c 11.68414
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99936
_cell_volume 495.38113
_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 0.24999 0.87291 0.08264 1.00000
Tm2 Tm 0.24999 0.37291 0.41736 1.00000
Tm3 Tm 0.75001 0.62709 0.58264 1.00000
Tm4 Tm 0.75001 0.12709 0.91736 1.00000
Np1 Np 0.25011 0.87431 0.74985 1.00000
Np2 Np 0.25011 0.37431 0.75015 1.00000
Np3 Np 0.24995 0.87717 0.41641 1.00000
Np4 Np 0.24995 0.37717 0.08359 1.00000
Np5 Np 0.75005 0.62283 0.91641 1.00000
Np6 Np 0.75005 0.12283 0.58359 1.00000
Np7 Np 0.74989 0.62569 0.24985 1.00000
Np8 Np 0.74989 0.12569 0.25015 1.00000
S1 S 0.25000 0.62083 0.58131 1.00000
S2 S 0.25000 0.12083 0.91869 1.00000
S3 S 0.25008 0.62701 0.91890 1.00000
S4 S 0.25008 0.12701 0.58110 1.00000
S5 S 0.24994 0.62482 0.25159 1.00000
S6 S 0.24994 0.12482 0.24841 1.00000
S7 S 0.75006 0.87518 0.75159 1.00000
S8 S 0.75006 0.37518 0.74841 1.00000
S9 S 0.74992 0.87299 0.41890 1.00000
S10 S 0.74992 0.37299 0.08110 1.00000
S11 S 0.75000 0.87917 0.08131 1.00000
S12 S 0.75000 0.37917 0.41869 1.00000
