SrCo2NiH8
Alexandria ALEXAlex-ID: agm007264845 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_184_spg1
CoH Sr(NiH3)2 Sr3(CoH6)2 H2
2024-03-26 07:31:15.587791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007264845).
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 agm007264845
data_agm007264845
_cell_length_a 4.45729
_cell_length_b 4.24085
_cell_length_c 6.43804
_cell_angle_alpha 68.56974
_cell_angle_beta 67.45528
_cell_angle_gamma 61.85133
_cell_volume 96.52589
_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
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Co1 Co 0.31953 0.26373 0.10902 1.00000
Co2 Co 0.68047 0.73627 0.89098 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
H1 H 0.33511 0.14227 0.88029 1.00000
H2 H 0.92265 0.96056 0.77259 1.00000
H3 H 0.35293 0.64420 0.90045 1.00000
H4 H 0.66489 0.85773 0.11971 1.00000
H5 H 0.07735 0.03944 0.22741 1.00000
H6 H 0.64707 0.35580 0.09955 1.00000
H7 H 0.18480 0.29731 0.36358 1.00000
H8 H 0.81520 0.70269 0.63642 1.00000
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