Sr3Th4NpBi8
Alexandria ALEXAlex-ID: agm045505124 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
SrThBi2 Th3Bi4 ThBi2 Np2Bi
2024-11-27 16:20:28.215053
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045505124).
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 agm045505124
data_agm045505124
_cell_length_a 9.38401
_cell_length_b 9.38401
_cell_length_c 9.38401
_cell_angle_alpha 59.67765
_cell_angle_beta 59.67765
_cell_angle_gamma 59.67765
_cell_volume 580.04119
_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
Sr1 Sr 0.00000 0.00000 0.50000 1.00000
Sr2 Sr 0.00000 0.50000 0.00000 1.00000
Sr3 Sr 0.50000 0.00000 0.00000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.50000 0.50000 1.00000
Th3 Th 0.50000 0.50000 0.00000 1.00000
Th4 Th 0.50000 0.00000 0.50000 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.75022 0.25849 0.75022 1.00000
Bi2 Bi 0.75022 0.75022 0.25849 1.00000
Bi3 Bi 0.74447 0.74447 0.74447 1.00000
Bi4 Bi 0.25849 0.75022 0.75022 1.00000
Bi5 Bi 0.74151 0.24978 0.24978 1.00000
Bi6 Bi 0.25553 0.25553 0.25553 1.00000
Bi7 Bi 0.24978 0.24978 0.74151 1.00000
Bi8 Bi 0.24978 0.74151 0.24978 1.00000
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