ErNi2H7
Alexandria ALEXAlex-ID: agm006199833 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_809_spg12
Er(NiH3)2 H2
2023-11-24 01:05:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006199833).
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 agm006199833
data_agm006199833
_cell_length_a 7.09468
_cell_length_b 3.46672
_cell_length_c 4.71622
_cell_angle_alpha 47.95528
_cell_angle_beta 74.71260
_cell_angle_gamma 94.12294
_cell_volume 77.93487
_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
Ni1 Ni 0.73844 0.73946 0.73849 1.00000
Ni2 Ni 0.31709 0.45550 0.16495 1.00000
H1 H 0.42895 0.35827 0.44757 1.00000
H2 H 0.21058 0.69528 0.33761 1.00000
H3 H 0.77884 0.27430 0.20777 1.00000
H4 H 0.21457 0.66219 0.85137 1.00000
H5 H 0.49305 0.49698 0.83932 1.00000
H6 H 0.53598 0.54425 0.19706 1.00000
H7 H 0.77951 0.28503 0.70001 1.00000
Er1 Er 0.00300 0.98873 0.01584 1.00000
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