SmZrNpN3
Alexandria ALEXAlex-ID: agm005040940 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_408_spg11
Sm5NpN6 ZrNpN2 SmZrN2
2022-07-07 04:26:59.848703
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005040940).
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 agm005040940
data_agm005040940
_cell_length_a 3.27371
_cell_length_b 6.86183
_cell_length_c 8.58954
_cell_angle_alpha 93.37361
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 192.61769
_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
Sm1 Sm 0.75000 0.85848 0.84935 1.00000
Sm2 Sm 0.25000 0.14152 0.15065 1.00000
Zr1 Zr 0.25000 0.62691 0.14045 1.00000
Zr2 Zr 0.75000 0.37309 0.85955 1.00000
Np1 Np 0.25000 0.12543 0.55756 1.00000
Np2 Np 0.75000 0.87457 0.44244 1.00000
N1 N 0.25000 0.68639 0.38937 1.00000
N2 N 0.75000 0.86502 0.14246 1.00000
N3 N 0.75000 0.39921 0.12216 1.00000
N4 N 0.75000 0.31361 0.61063 1.00000
N5 N 0.25000 0.60079 0.87784 1.00000
N6 N 0.25000 0.13498 0.85754 1.00000
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