ThNp2Sb3
Alexandria ALEXAlex-ID: agm034871012 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Th3Sb4 Np2Sb Np4Sb5
2025-04-14 07:36:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034871012).
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 agm034871012
data_agm034871012
_cell_length_a 14.79421
_cell_length_b 14.10475
_cell_length_c 7.67857
_cell_angle_alpha 79.61783
_cell_angle_beta 69.68320
_cell_angle_gamma 30.69897
_cell_volume 743.31188
_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
Th1 Th 0.91719 0.91719 0.08281 1.00000
Th2 Th 0.33281 0.33281 0.16719 1.00000
Th3 Th 0.16719 0.16719 0.33281 1.00000
Th4 Th 0.08281 0.08281 0.91719 1.00000
Np1 Np 0.00075 0.00075 0.49925 1.00000
Np2 Np 0.41564 0.41564 0.58436 1.00000
Np3 Np 0.83436 0.83436 0.66564 1.00000
Np4 Np 0.24925 0.24925 0.75075 1.00000
Np5 Np 0.75075 0.75075 0.24925 1.00000
Np6 Np 0.66564 0.66564 0.83436 1.00000
Np7 Np 0.58436 0.58436 0.41564 1.00000
Np8 Np 0.49925 0.49925 0.00075 1.00000
Sb1 Sb 0.66752 0.16786 0.82676 1.00000
Sb2 Sb 0.16786 0.66752 0.33786 1.00000
Sb3 Sb 0.58248 0.08214 0.42324 1.00000
Sb4 Sb 0.08214 0.58248 0.91214 1.00000
Sb5 Sb 0.50774 0.99226 0.99226 1.00000
Sb6 Sb 0.99226 0.50774 0.50774 1.00000
Sb7 Sb 0.91214 0.42324 0.08214 1.00000
Sb8 Sb 0.42324 0.91214 0.58248 1.00000
Sb9 Sb 0.33786 0.82676 0.16786 1.00000
Sb10 Sb 0.82676 0.33786 0.66752 1.00000
Sb11 Sb 0.74226 0.25774 0.25774 1.00000
Sb12 Sb 0.25774 0.74226 0.74226 1.00000
