PmCo2H7
Alexandria ALEXAlex-ID: agm006207263 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_771_spg2
PmCoH6 CoH
2023-12-18 02:50:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207263).
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 agm006207263
data_agm006207263
_cell_length_a 4.55576
_cell_length_b 3.51312
_cell_length_c 8.12723
_cell_angle_alpha 117.22967
_cell_angle_beta 69.29274
_cell_angle_gamma 140.52304
_cell_volume 73.53346
_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
H1 H 0.97248 0.43179 0.39258 1.00000
H2 H 0.97384 0.24653 0.57674 1.00000
H3 H 0.47381 0.51891 0.72713 1.00000
H4 H 0.97290 0.02004 0.19197 1.00000
H5 H 0.47333 0.09093 0.51198 1.00000
H6 H 0.47295 0.13678 0.27139 1.00000
H7 H 0.97355 0.61744 0.80308 1.00000
Co1 Co 0.47365 0.97187 0.68706 1.00000
Co2 Co 0.47258 0.70188 0.30904 1.00000
Pm1 Pm 0.97330 0.32124 0.99719 1.00000
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