Sc2Co2H7
Alexandria ALEXAlex-ID: agm006344544 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_129_spg12
ScCoH4 ScCoH3
2024-02-24 20:51:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006344544).
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 agm006344544
data_agm006344544
_cell_length_a 3.52936
_cell_length_b 4.36943
_cell_length_c 5.64243
_cell_angle_alpha 69.24558
_cell_angle_beta 94.55600
_cell_angle_gamma 90.37887
_cell_volume 81.08825
_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
Sc1 Sc 0.77316 0.82165 0.77598 1.00000
Sc2 Sc 0.22684 0.17835 0.22402 1.00000
Co1 Co 0.27418 0.33658 0.68862 1.00000
Co2 Co 0.72582 0.66342 0.31138 1.00000
H1 H 0.26704 0.53977 0.87012 1.00000
H2 H 0.25761 0.02736 0.61094 1.00000
H3 H 0.73296 0.46023 0.12988 1.00000
H4 H 0.74239 0.97264 0.38906 1.00000
H5 H 0.50000 0.00000 0.00000 1.00000
H6 H 0.76872 0.38392 0.63686 1.00000
H7 H 0.23128 0.61608 0.36314 1.00000
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