La3Y4NpSb8
Alexandria ALEXAlex-ID: agm049092153 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
Np4Sb5 Np2Sb YSb LaSb
2025-03-13 03:05:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm049092153).
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 agm049092153
data_agm049092153
_cell_length_a 8.96252
_cell_length_b 8.96252
_cell_length_c 8.96252
_cell_angle_alpha 60.09371
_cell_angle_beta 60.09371
_cell_angle_gamma 60.09371
_cell_volume 510.14889
_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
La1 La 0.00000 0.50000 0.50000 1.00000
La2 La 0.50000 0.50000 0.00000 1.00000
La3 La 0.50000 0.00000 0.50000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.00000 0.50000 0.00000 1.00000
Y3 Y 0.50000 0.00000 0.00000 1.00000
Y4 Y 0.00000 0.00000 0.50000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.24987 0.24987 0.75882 1.00000
Sb2 Sb 0.75882 0.24987 0.24987 1.00000
Sb3 Sb 0.24574 0.24574 0.24574 1.00000
Sb4 Sb 0.24987 0.75882 0.24987 1.00000
Sb5 Sb 0.75013 0.24118 0.75013 1.00000
Sb6 Sb 0.75426 0.75426 0.75426 1.00000
Sb7 Sb 0.24118 0.75013 0.75013 1.00000
Sb8 Sb 0.75013 0.75013 0.24118 1.00000
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