Nb2Cu2H7
Alexandria ALEXAlex-ID: agm007252805 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_295_spg12
CuH4 NbH2 Cu
2025-05-27 05:42:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007252805).
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 agm007252805
data_agm007252805
_cell_length_a 2.90736
_cell_length_b 5.14334
_cell_length_c 5.97787
_cell_angle_alpha 78.32663
_cell_angle_beta 89.97583
_cell_angle_gamma 89.95485
_cell_volume 87.54158
_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
Nb1 Nb 0.22759 0.51947 0.26072 1.00000
Nb2 Nb 0.72790 0.49650 0.72830 1.00000
Cu1 Cu 0.72568 0.05726 0.16332 1.00000
Cu2 Cu 0.22660 0.98962 0.79499 1.00000
H1 H 0.72787 0.39960 0.07938 1.00000
H2 H 0.22832 0.31439 0.58508 1.00000
H3 H 0.22776 0.62111 0.89400 1.00000
H4 H 0.72725 0.69206 0.40889 1.00000
H5 H 0.72752 0.88488 0.67939 1.00000
H6 H 0.22639 0.88572 0.09117 1.00000
H7 H 0.22713 0.13937 0.31476 1.00000
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