YMn2FeH8
Alexandria ALEXAlex-ID: agm007456350 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_304_spg12
MnH2 Mn4H3 YFeH5
2024-03-10 19:58:51.937131
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007456350).
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 agm007456350
data_agm007456350
_cell_length_a 4.12086
_cell_length_b 4.12059
_cell_length_c 6.25333
_cell_angle_alpha 89.97696
_cell_angle_beta 90.08981
_cell_angle_gamma 120.00606
_cell_volume 91.95216
_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
Y1 Y 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.66671 0.33328 0.15116 1.00000
Mn2 Mn 0.33329 0.66672 0.84884 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
H1 H 0.33349 0.66670 0.56258 1.00000
H2 H 0.65559 0.82719 0.16363 1.00000
H3 H 0.66651 0.33330 0.43742 1.00000
H4 H 0.34441 0.17281 0.83637 1.00000
H5 H 0.17106 0.82915 0.16576 1.00000
H6 H 0.82894 0.17085 0.83424 1.00000
H7 H 0.16946 0.34246 0.16529 1.00000
H8 H 0.83054 0.65754 0.83471 1.00000
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