ZrCo4SiH3
Alexandria ALEXAlex-ID: agm073029935 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4_184_spg160
Co2Si ZrCoH3 Co
2024-10-28 22:58:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073029935).
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 agm073029935
data_agm073029935
_cell_length_a 5.13617
_cell_length_b 5.13617
_cell_length_c 5.13617
_cell_angle_alpha 56.09647
_cell_angle_beta 56.09647
_cell_angle_gamma 56.09647
_cell_volume 87.14805
_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
Zr1 Zr 0.02502 0.02502 0.02502 1.00000
Co1 Co 0.36524 0.36524 0.84920 1.00000
Co2 Co 0.36524 0.84920 0.36524 1.00000
Co3 Co 0.84920 0.36524 0.36524 1.00000
Co4 Co 0.37072 0.37072 0.37072 1.00000
Si1 Si 0.79379 0.79379 0.79379 1.00000
H1 H 0.14424 0.14424 0.53490 1.00000
H2 H 0.14424 0.53490 0.14424 1.00000
H3 H 0.53490 0.14424 0.14424 1.00000
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