Np3Ga3Ru2
Alexandria ALEXAlex-ID: agm012502004 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_8_spg62
NpGa3Ru4 Ga2Ru Np
2024-09-14 01:16:39.020161
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012502004).
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 agm012502004
data_agm012502004
_cell_length_a 4.99274
_cell_length_b 9.59772
_cell_length_c 11.86855
_cell_angle_alpha 87.30462
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 568.09965
_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 0.78438 0.60872 0.35979 1.00000
Np2 Np 0.28438 0.89128 0.64021 1.00000
Np3 Np 0.00927 0.42652 0.82237 1.00000
Np4 Np 0.50927 0.07348 0.17763 1.00000
Np5 Np 0.21562 0.39128 0.64021 1.00000
Np6 Np 0.71562 0.10872 0.35979 1.00000
Np7 Np 0.99073 0.57348 0.17763 1.00000
Np8 Np 0.49073 0.92652 0.82237 1.00000
Np9 Np 0.42615 0.68221 0.22642 1.00000
Np10 Np 0.92615 0.81779 0.77358 1.00000
Np11 Np 0.57385 0.31779 0.77358 1.00000
Np12 Np 0.07385 0.18221 0.22642 1.00000
Ga1 Ga 0.96719 0.87379 0.24573 1.00000
Ga2 Ga 0.46719 0.62621 0.75427 1.00000
Ga3 Ga 0.03281 0.12621 0.75427 1.00000
Ga4 Ga 0.53281 0.37379 0.24573 1.00000
Ga5 Ga 0.30127 0.64796 0.49320 1.00000
Ga6 Ga 0.80127 0.85204 0.50680 1.00000
Ga7 Ga 0.74576 0.32977 0.03595 1.00000
Ga8 Ga 0.24576 0.17023 0.96405 1.00000
Ga9 Ga 0.69873 0.35204 0.50680 1.00000
Ga10 Ga 0.19873 0.14796 0.49320 1.00000
Ga11 Ga 0.25424 0.67023 0.96405 1.00000
Ga12 Ga 0.75424 0.82977 0.03595 1.00000
Ru1 Ru 0.30717 0.90329 0.41517 1.00000
Ru2 Ru 0.80717 0.59671 0.58483 1.00000
Ru3 Ru 0.75849 0.08404 0.94967 1.00000
Ru4 Ru 0.25849 0.41596 0.05033 1.00000
Ru5 Ru 0.69283 0.09671 0.58483 1.00000
Ru6 Ru 0.19283 0.40329 0.41517 1.00000
Ru7 Ru 0.24151 0.91596 0.05033 1.00000
Ru8 Ru 0.74151 0.58404 0.94967 1.00000
