PmCoH4
Alexandria ALEXAlex-ID: agm003746906 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1702_spg63
PmCoH4
2022-04-21 20:18:49.930400
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003746906).
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 agm003746906
data_agm003746906
_cell_length_a 4.59998
_cell_length_b 6.45966
_cell_length_c 5.59838
_cell_angle_alpha 106.49304
_cell_angle_beta 89.99195
_cell_angle_gamma 135.42777
_cell_volume 106.77571
_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
Pm1 Pm 0.38779 0.63783 0.27585 1.00000
Pm2 Pm 0.61221 0.36217 0.72415 1.00000
Co1 Co 0.31412 0.06413 0.12722 1.00000
Co2 Co 0.68588 0.93587 0.87278 1.00000
H1 H 0.86635 0.11616 0.67925 1.00000
H2 H 0.00087 0.91416 0.82859 1.00000
H3 H 0.31262 0.56260 0.67863 1.00000
H4 H 0.32763 0.91428 0.82849 1.00000
H5 H 0.67237 0.08572 0.17151 1.00000
H6 H 0.68738 0.43740 0.32137 1.00000
H7 H 0.99913 0.08584 0.17141 1.00000
H8 H 0.13365 0.88384 0.32075 1.00000
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