ErNi2H7
Alexandria ALEXAlex-ID: agm006200873 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_546_spg65
Er(NiH3)2 H2
2023-11-24 04:46:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200873).
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 agm006200873
data_agm006200873
_cell_length_a 4.92073
_cell_length_b 6.35722
_cell_length_c 4.53295
_cell_angle_alpha 139.67968
_cell_angle_beta 56.91810
_cell_angle_gamma 118.66883
_cell_volume 76.34885
_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
H1 H 0.01363 0.81125 0.31948 1.00000
H2 H 0.88197 0.81137 0.58455 1.00000
H3 H 0.44632 0.61161 0.71131 1.00000
H4 H 0.97737 0.14004 0.32947 1.00000
H5 H 0.42749 0.85157 0.49311 1.00000
H6 H 0.52694 0.13833 0.23018 1.00000
H7 H 0.90359 0.61045 0.79428 1.00000
Er1 Er 0.14488 0.34255 0.98390 1.00000
Ni1 Ni 0.23485 0.87069 0.95192 1.00000
Ni2 Ni 0.67536 0.86952 0.06998 1.00000
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