Ho4NpSi4
Alexandria ALEXAlex-ID: agm012886503 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_63_spg19
Np HoSi
2025-03-02 04:25:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012886503).
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 agm012886503
data_agm012886503
_cell_length_a 7.34310
_cell_length_b 7.68331
_cell_length_c 14.55040
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 820.92444
_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
Ho1 Ho 0.40084 0.98232 0.49973 1.00000
Ho2 Ho 0.90084 0.51768 0.50027 1.00000
Ho3 Ho 0.09916 0.01768 0.99973 1.00000
Ho4 Ho 0.59916 0.48232 0.00027 1.00000
Ho5 Ho 0.43340 0.82286 0.12861 1.00000
Ho6 Ho 0.93340 0.67714 0.87139 1.00000
Ho7 Ho 0.06660 0.17714 0.62861 1.00000
Ho8 Ho 0.56660 0.32286 0.37139 1.00000
Ho9 Ho 0.06897 0.18062 0.37295 1.00000
Ho10 Ho 0.56897 0.31938 0.62705 1.00000
Ho11 Ho 0.43103 0.81938 0.87295 1.00000
Ho12 Ho 0.93103 0.68062 0.12705 1.00000
Ho13 Ho 0.77421 0.18133 0.84602 1.00000
Ho14 Ho 0.27421 0.31867 0.15398 1.00000
Ho15 Ho 0.72579 0.81867 0.34602 1.00000
Ho16 Ho 0.22579 0.68133 0.65398 1.00000
Np1 Np 0.72332 0.81703 0.65152 1.00000
Np2 Np 0.22332 0.68297 0.34848 1.00000
Np3 Np 0.77668 0.18297 0.15152 1.00000
Np4 Np 0.27668 0.31703 0.84848 1.00000
Si1 Si 0.60263 0.52807 0.20937 1.00000
Si2 Si 0.10263 0.97193 0.79063 1.00000
Si3 Si 0.89737 0.47193 0.70937 1.00000
Si4 Si 0.39737 0.02807 0.29063 1.00000
Si5 Si 0.90045 0.47410 0.28897 1.00000
Si6 Si 0.40045 0.02590 0.71103 1.00000
Si7 Si 0.59955 0.52590 0.78897 1.00000
Si8 Si 0.09955 0.97410 0.21103 1.00000
Si9 Si 0.51583 0.62434 0.50073 1.00000
Si10 Si 0.01583 0.87566 0.49927 1.00000
Si11 Si 0.98417 0.37566 0.00073 1.00000
Si12 Si 0.48417 0.12434 0.99927 1.00000
Si13 Si 0.77310 0.10327 0.49981 1.00000
Si14 Si 0.27310 0.39673 0.50019 1.00000
Si15 Si 0.72690 0.89673 0.99981 1.00000
Si16 Si 0.22690 0.60327 0.00019 1.00000
