ErNi2H8Pt
Alexandria ALEXAlex-ID: agm007274553 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_613_spg2
Er(NiH3)2 Er(H3Pt)4 NiH
2024-03-16 04:39:38.820893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007274553).
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 agm007274553
data_agm007274553
_cell_length_a 4.46565
_cell_length_b 5.00152
_cell_length_c 4.60298
_cell_angle_alpha 88.07009
_cell_angle_beta 86.45513
_cell_angle_gamma 75.21065
_cell_volume 99.19447
_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
Er1 Er 0.50000 0.00000 0.50000 1.00000
Ni1 Ni 0.36643 0.51688 0.75946 1.00000
Ni2 Ni 0.63357 0.48312 0.24054 1.00000
H1 H 0.83453 0.74095 0.16061 1.00000
H2 H 0.62893 0.27303 0.94057 1.00000
H3 H 0.94638 0.18754 0.31514 1.00000
H4 H 0.16547 0.25905 0.83939 1.00000
H5 H 0.37107 0.72697 0.05943 1.00000
H6 H 0.05362 0.81246 0.68486 1.00000
H7 H 0.68770 0.54477 0.57354 1.00000
H8 H 0.31230 0.45523 0.42646 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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