NpGaCo2
Alexandria ALEXAlex-ID: agm005774663 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_525_spg11
GaCo NpCo
2023-07-11 22:50:17.440101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774663).
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
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# CIF generated by HEAS from Alexandria entry agm005774663
data_agm005774663
_cell_length_a 4.60811
_cell_length_b 4.23254
_cell_length_c 6.41701
_cell_angle_alpha 90.00518
_cell_angle_beta 103.82581
_cell_angle_gamma 89.99886
_cell_volume 121.53117
_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 0.81509 0.24999 0.78219 1.00000
Np2 Np 0.18491 0.75001 0.21781 1.00000
Ga1 Ga 0.28794 0.74993 0.71336 1.00000
Ga2 Ga 0.71206 0.25007 0.28664 1.00000
Co1 Co 0.30545 0.24989 0.51207 1.00000
Co2 Co 0.69455 0.75011 0.48793 1.00000
Co3 Co 0.33538 0.24998 0.92900 1.00000
Co4 Co 0.66462 0.75002 0.07100 1.00000
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