U6NbP8
Alexandria ALEXAlex-ID: agm072820108 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_217_spg148
U3P4 NbP UP
2024-10-07 03:01:05.989012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072820108).
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 agm072820108
data_agm072820108
_cell_length_a 7.18203
_cell_length_b 7.18203
_cell_length_c 7.18203
_cell_angle_alpha 68.53793
_cell_angle_beta 68.53793
_cell_angle_gamma 68.53793
_cell_volume 309.13999
_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
U1 U 0.93158 0.53366 0.30687 1.00000
U2 U 0.53366 0.30687 0.93158 1.00000
U3 U 0.30687 0.93158 0.53366 1.00000
U4 U 0.06842 0.46634 0.69313 1.00000
U5 U 0.46634 0.69313 0.06842 1.00000
U6 U 0.69313 0.06842 0.46634 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
P1 P 0.66404 0.66404 0.66404 1.00000
P2 P 0.33596 0.33596 0.33596 1.00000
P3 P 0.17824 0.64749 0.90376 1.00000
P4 P 0.64749 0.90376 0.17824 1.00000
P5 P 0.90376 0.17824 0.64749 1.00000
P6 P 0.82176 0.35251 0.09624 1.00000
P7 P 0.35251 0.09624 0.82176 1.00000
P8 P 0.09624 0.82176 0.35251 1.00000
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