Mn3Co2H3
Alexandria ALEXAlex-ID: agm007260140 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1555_spg1
MnCo3H4 Mn4H3 Co
2024-06-24 12:02:04.415052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007260140).
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 agm007260140
data_agm007260140
_cell_length_a 4.31137
_cell_length_b 4.31137
_cell_length_c 5.02876
_cell_angle_alpha 64.37642
_cell_angle_beta 64.37642
_cell_angle_gamma 57.34482
_cell_volume 68.47515
_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
Mn1 Mn 0.84215 0.84215 0.70051 1.00000
Mn2 Mn 0.23364 0.23364 0.45117 1.00000
Mn3 Mn 0.03958 0.03958 0.08108 1.00000
Co1 Co 0.48637 0.48637 0.86281 1.00000
Co2 Co 0.60388 0.60388 0.30332 1.00000
H1 H 0.56120 0.04965 0.10157 1.00000
H2 H 0.36984 0.36984 0.65324 1.00000
H3 H 0.04965 0.56120 0.10157 1.00000
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