NbCd(H4Au)2
Alexandria ALEXAlex-ID: agm007170233 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1112_spg2
CdAu NbH2 H6Au
2024-01-28 17:04:14.901898
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007170233).
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 agm007170233
data_agm007170233
_cell_length_a 5.52949
_cell_length_b 4.91353
_cell_length_c 6.64266
_cell_angle_alpha 100.13234
_cell_angle_beta 54.88462
_cell_angle_gamma 103.67322
_cell_volume 143.26378
_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 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.48579 0.27811 0.76566 1.00000
H2 H 0.51546 0.16055 0.23449 1.00000
H3 H 0.51421 0.72189 0.23434 1.00000
H4 H 0.12788 0.15797 0.64641 1.00000
H5 H 0.87212 0.84203 0.35359 1.00000
H6 H 0.12201 0.71279 0.65160 1.00000
H7 H 0.87799 0.28721 0.34840 1.00000
H8 H 0.48454 0.83945 0.76551 1.00000
Au1 Au 0.71496 0.57576 0.57423 1.00000
Au2 Au 0.28504 0.42424 0.42577 1.00000
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