CaZn2CoH8
Alexandria ALEXAlex-ID: agm007417367 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_294_spg2
ZnH2 Ca3(CoH6)2 Zn3(CoH)2 CoH
2025-02-26 17:22:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007417367).
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 agm007417367
data_agm007417367
_cell_length_a 4.19594
_cell_length_b 4.86984
_cell_length_c 5.30513
_cell_angle_alpha 104.54856
_cell_angle_beta 92.22328
_cell_angle_gamma 89.38267
_cell_volume 104.84759
_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
Ca1 Ca 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.51373 0.79038 0.15098 1.00000
Zn2 Zn 0.48627 0.20962 0.84902 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.83528 0.30858 0.04436 1.00000
H2 H 0.10839 0.01292 0.72420 1.00000
H3 H 0.28024 0.17216 0.16265 1.00000
H4 H 0.16472 0.69142 0.95564 1.00000
H5 H 0.89161 0.98708 0.27580 1.00000
H6 H 0.71976 0.82784 0.83735 1.00000
H7 H 0.49481 0.68451 0.41860 1.00000
H8 H 0.50519 0.31549 0.58140 1.00000
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