Np(MnB)4
Alexandria ALEXAlex-ID: agm015089787 · Space group: I4_1/acd (#142)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_52_spg142
MnB Np
2024-09-26 13:02:12.138076
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015089787).
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 agm015089787
data_agm015089787
_cell_length_a 8.78137
_cell_length_b 8.78137
_cell_length_c 8.78137
_cell_angle_alpha 132.49136
_cell_angle_beta 132.49136
_cell_angle_gamma 69.45407
_cell_volume 361.21506
_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
Np1 Np 0.00000 0.50000 0.50000 1.00000
Np2 Np 0.50000 0.00000 0.50000 1.00000
Np3 Np 0.75000 0.75000 0.00000 1.00000
Np4 Np 0.25000 0.25000 0.00000 1.00000
Mn1 Mn 0.70551 0.44289 0.02758 1.00000
Mn2 Mn 0.20551 0.17792 0.26262 1.00000
Mn3 Mn 0.92792 0.16531 0.47242 1.00000
Mn4 Mn 0.42792 0.95551 0.76262 1.00000
Mn5 Mn 0.04449 0.80711 0.47242 1.00000
Mn6 Mn 0.54449 0.07208 0.23738 1.00000
Mn7 Mn 0.82208 0.08469 0.02758 1.00000
Mn8 Mn 0.32208 0.29449 0.73738 1.00000
Mn9 Mn 0.91531 0.94289 0.73738 1.00000
Mn10 Mn 0.41531 0.67792 0.97242 1.00000
Mn11 Mn 0.19289 0.66531 0.23738 1.00000
Mn12 Mn 0.69289 0.45551 0.52758 1.00000
Mn13 Mn 0.83469 0.30711 0.76262 1.00000
Mn14 Mn 0.33469 0.57208 0.52758 1.00000
Mn15 Mn 0.55711 0.58469 0.26262 1.00000
Mn16 Mn 0.05711 0.79449 0.97242 1.00000
B1 B 0.01815 0.50173 0.18495 1.00000
B2 B 0.51815 0.33319 0.51642 1.00000
B3 B 0.08319 0.06678 0.31505 1.00000
B4 B 0.58319 0.26815 0.01642 1.00000
B5 B 0.73185 0.74827 0.31505 1.00000
B6 B 0.23185 0.91681 0.98358 1.00000
B7 B 0.66681 0.18322 0.18495 1.00000
B8 B 0.16681 0.98185 0.48358 1.00000
B9 B 0.81678 0.00173 0.48358 1.00000
B10 B 0.31678 0.83319 0.81505 1.00000
B11 B 0.25173 0.56678 0.98358 1.00000
B12 B 0.75173 0.76815 0.68495 1.00000
B13 B 0.93322 0.24827 0.01642 1.00000
B14 B 0.43322 0.41681 0.68495 1.00000
B15 B 0.49827 0.68322 0.51642 1.00000
B16 B 0.99827 0.48185 0.81505 1.00000
