Np2CrCuH
Alexandria ALEXAlex-ID: agm007640249 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_69_spg11
NpH3 Np Cu Cr
2024-06-04 04:16:39.213449
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007640249).
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 agm007640249
data_agm007640249
_cell_length_a 4.32738
_cell_length_b 5.75334
_cell_length_c 5.93632
_cell_angle_alpha 68.60229
_cell_angle_beta 89.99586
_cell_angle_gamma 90.00041
_cell_volume 137.60861
_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 0.24996 0.88890 0.49563 1.00000
Np2 Np 0.24997 0.73123 0.93131 1.00000
Np3 Np 0.75004 0.11110 0.50437 1.00000
Np4 Np 0.75003 0.26877 0.06869 1.00000
Cr1 Cr 0.75009 0.53199 0.71299 1.00000
Cr2 Cr 0.24991 0.46801 0.28701 1.00000
Cu1 Cu 0.74995 0.71249 0.26044 1.00000
Cu2 Cu 0.25005 0.28751 0.73956 1.00000
H1 H 0.74991 0.91373 0.94653 1.00000
H2 H 0.25009 0.08627 0.05347 1.00000
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