MnCo(H2Ru)2
Alexandria ALEXAlex-ID: agm007484338 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_493_spg1
Mn(H4Ru)2 MnCo3H4 Mn2H3Ru Ru
2024-06-24 12:02:35.535776
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007484338).
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 agm007484338
data_agm007484338
_cell_length_a 5.49294
_cell_length_b 5.49294
_cell_length_c 2.78006
_cell_angle_alpha 75.27278
_cell_angle_beta 75.27278
_cell_angle_gamma 121.39960
_cell_volume 61.17903
_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 0.48229 0.51771 0.00000 1.00000
Co1 Co 0.26771 0.73229 0.50000 1.00000
H1 H 0.88227 0.59270 0.75437 1.00000
H2 H 0.14343 0.35350 0.75215 1.00000
H3 H 0.64650 0.85657 0.24785 1.00000
H4 H 0.40730 0.11773 0.24563 1.00000
Ru1 Ru 0.03910 0.96090 0.00000 1.00000
Ru2 Ru 0.74440 0.25560 0.50000 1.00000
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