NdSmPBr
Alexandria ALEXAlex-ID: agm005197338 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_113_spg8
Nd2PBr2 Sm6P5Br Sm2PBr2 Nd
2022-07-10 16:22:33.041271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005197338).
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 agm005197338
data_agm005197338
_cell_length_a 4.08292
_cell_length_b 4.08346
_cell_length_c 7.80250
_cell_angle_alpha 90.00207
_cell_angle_beta 105.16130
_cell_angle_gamma 120.00412
_cell_volume 107.39263
_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
Nd1 Nd 0.50049 0.14818 0.66392 1.00000
Sm1 Sm 0.10470 0.95030 0.07004 1.00000
P1 P 0.30832 0.55212 0.87569 1.00000
Br1 Br 0.96439 0.38021 0.36001 1.00000
Get direct link